1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol

C9H19NO2 — CID 89249087

IUPAC1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol
SMILESCC(O)N(C)C1CCCC1CO
InChIInChI=1S/C9H19NO2/c1-7(12)10(2)9-5-3-4-8(9)6-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyWAIRLACCOGXDTE-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.42
Rot. Bonds3

About 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol

1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol (PubChem CID 89249087) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol
PubChem CID89249087
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol
SMILESCC(O)N(C)C1CCCC1CO
InChIInChI=1S/C9H19NO2/c1-7(12)10(2)9-5-3-4-8(9)6-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyWAIRLACCOGXDTE-UHFFFAOYSA-N
XLogP0.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol 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-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol?
The IUPAC name of 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol (CID 89249087) is 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol.
What is the SMILES notation for 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol?
The canonical SMILES for 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol is CC(O)N(C)C1CCCC1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol?
The InChIKey is WAIRLACCOGXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(12)10(2)9-5-3-4-8(9)6-11/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol?
1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)cyclopentyl]-methylamino]ethanol is sourced from PubChem (CID 89249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).