2-Amino-1,1-dimethylethylisopropylamine

HCID 79532CAS 5448-29-3

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Basic information

Standard SMILES: CC(C)NCC(C)(C)N
InChIKey: BVVNMQQFLWWRFT-UHFFFAOYSA-N
Molecular formula: C7H18N2
Average molar mass: 130.23 g/mol
Monoisotopic mass: 130.14699858

Overview

N(1)-isopropyl-2-methylpropan-1,2-diamine is a primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N1 and a methyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a primary aliphatic amine and a secondary aliphatic amine.

Names & identifiers

Preferred name: 2-Amino-1,1-dimethylethylisopropylamine
IUPAC: 2-methyl-1-N-propan-2-ylpropane-1,2-diamine
English name: 2-amino-1,1-dimethylethylisopropylamine
Molecular formula: C7H18N2
Molecular weight: 130.23

Names & synonyms

5448-29-32-Amino-1,1-dimethylethylisopropylamine(2-amino-2-methylpropyl)(propan-2-yl)amineXY2CCA73SX2-methyl-1-N-propan-2-ylpropane-1,2-diamine1,2-Propanediamine, 2-methyl-N1-(1-methylethyl)-N(1)-isopropyl-2-methylpropan-1,2-diamineEINECS 226-671-1NSC 17712NSC-17712N1-Isopropyl-2-methyl-1,2-propanediamineAI3-28056

Show more names

2-Methyl-N-isopropyl-1,2-propanediamine

CHEBI:842652-AMINO-1-ISOPROPYLAMINO-2-METHYLPROPANEN1-ISOPROPYL-1,2-DIAMINO-2-METHYLPROPANE2-methyl-N(1)-(propan-2-yl)propane-1,2-diamine2-METHYL-N1-(1-METHYLETHYL)-1,2-PROPANEDIAMINERefChem:85027226-671-1N1-Isopropyl-2-methylpropane-1,2-diamine

Database identifiers

CAS: 5448-29-3
PubChem CID: 79532
DTXSID: DTXSID10969654
ChEBI: CHEBI:84265
UNII: XY2CCA73SX
EC Number: 226-671-1
Nikkaji: J210.493H

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

FDA UNII: 2 CCA73SX · XY2CCA73SX

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-Propanamine, 2-methyl-N-(1-methylethyl)-2-nitro-2-Propanamine, N-(2-chloro-2-methylpropylidene)-, [N(E)]-

Suppliers2 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N1 and a methyl group at position 2. Metabolite observed in cancer metabolism.