[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol

C16H31N3O — CID 79644475

IUPAC[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
SMILESCN1CCCC1CN(C)C1CCC(CO)(NC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-18-9-3-4-15(18)11-19(2)14-7-8-16(10-14,12-20)17-13-5-6-13/h13-15,17,20H,3-12H2,1-2H3
InChIKeyWGMNKKCAPFMZBE-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.05
Rot. Bonds6

About [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol

[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol (PubChem CID 79644475) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
PubChem CID79644475
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
SMILESCN1CCCC1CN(C)C1CCC(CO)(NC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-18-9-3-4-15(18)11-19(2)14-7-8-16(10-14,12-20)17-13-5-6-13/h13-15,17,20H,3-12H2,1-2H3
InChIKeyWGMNKKCAPFMZBE-UHFFFAOYSA-N
XLogP1.05
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol (CID 79644475) is [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol is CN1CCCC1CN(C)C1CCC(CO)(NC2CC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol?
The InChIKey is WGMNKKCAPFMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-9-3-4-15(18)11-19(2)14-7-8-16(10-14,12-20)17-13-5-6-13/h13-15,17,20H,3-12H2,1-2H3.
What are the key properties of [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol?
[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol has a molecular weight of 281.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 79644475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).