[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol

C12H21N3O — CID 62519336

IUPAC[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol
SMILESOCC1(NCCCn2ccnc2)CCCC1
InChIInChI=1S/C12H21N3O/c16-10-12(4-1-2-5-12)14-6-3-8-15-9-7-13-11-15/h7,9,11,14,16H,1-6,8,10H2
InChIKeyOMHBYJVNZPVZQX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.17
Rot. Bonds6

About [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol

[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol (PubChem CID 62519336) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol
PubChem CID62519336
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol
SMILESOCC1(NCCCn2ccnc2)CCCC1
InChIInChI=1S/C12H21N3O/c16-10-12(4-1-2-5-12)14-6-3-8-15-9-7-13-11-15/h7,9,11,14,16H,1-6,8,10H2
InChIKeyOMHBYJVNZPVZQX-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(3-imidazol-1-ylpropylamino)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-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol?
The IUPAC name of [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol (CID 62519336) is [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol is OCC1(NCCCn2ccnc2)CCCC1.
What is the InChIKey of [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol?
The InChIKey is OMHBYJVNZPVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-10-12(4-1-2-5-12)14-6-3-8-15-9-7-13-11-15/h7,9,11,14,16H,1-6,8,10H2.
What are the key properties of [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol?
[1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-imidazol-1-ylpropylamino)cyclopentyl]methanol is sourced from PubChem (CID 62519336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).