1-(Methylamino)-3-(pyrrolidin-1-yl)propan-2-ol

HCID 22562028

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CNCC(O)CN1CCCC1
InChIKey: KMAXFYYGXOXNCK-UHFFFAOYSA-N
Molecular formula: C8H18N2O
Average molar mass: 158.24 g/mol
Monoisotopic mass: 158.1419132

Names & identifiers

Preferred name: 1-(Methylamino)-3-(pyrrolidin-1-yl)propan-2-ol
IUPAC: 1-(methylamino)-3-pyrrolidin-1-ylpropan-2-ol

Names & synonyms

1-(Methylamino)-3-(pyrrolidin-1-yl)propan-2-ol756520-80-6SCHEMBL488349KMAXFYYGXOXNCK-UHFFFAOYSA-NAKOS000216462AKOS0160500461-Methylamino-3-pyrrolidin-1-yl-propan-2-ol

Database identifiers

PubChem CID: 22562028

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 102

Related reactions

5 records

New reaction record

HRID 102801As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 159503As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1839824As reactantuspto-grants-2004_01

HRID 1970169As productuspto-grants-2013_04

HRID 1970170As reactantuspto-grants-2013_04

Compound notes

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