1-Amino-5-isopropylamino-pentan-3-ol

HCID 18550751

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)NCCC(O)CCN
InChIKey: BCARHVCOOXTAKJ-UHFFFAOYSA-N
Molecular formula: C8H20N2O
Average molar mass: 160.26 g/mol
Monoisotopic mass: 160.15756327

Names & identifiers

Preferred name: 1-Amino-5-isopropylamino-pentan-3-ol
IUPAC: 1-amino-5-(propan-2-ylamino)pentan-3-ol

Names & synonyms

SCHEMBL3086436BCARHVCOOXTAKJ-UHFFFAOYSA-N1-amino-5-isopropylamino-pentan-3-ol

Database identifiers

PubChem CID: 18550751

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 58.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 86

Related reactions

13 records

New reaction record

HRID 691062 reaction equation

HRID 691062As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 750590 reaction equation

HRID 750590As reactantuspto-grants-2008_07

HRID 750591 reaction equation

HRID 750591As reactantuspto-grants-2008_07

HRID 750605 reaction equation

HRID 750605As reactantuspto-grants-2008_07

HRID 812328 reaction equation

HRID 812328As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1266380 reaction equation

HRID 1266380As reactantuspto-grants-2003_04

HRID 1266381 reaction equation

HRID 1266381As reactantuspto-grants-2003_04

HRID 1266398 reaction equation

HRID 1266398As reactantuspto-grants-2003_04

Compound notes

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