1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine

C12H25N3O — CID 103859750

IUPAC1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine
SMILESCC(CO)CCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(9-16)5-4-8-14-12(13)15-11-6-2-3-7-11/h10-11,16H,2-9H2,1H3,(H3,13,14,15)
InChIKeyOGLXODFDIJRXBC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.24
Rot. Bonds6

About 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine

1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine (PubChem CID 103859750) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine
PubChem CID103859750
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine
SMILESCC(CO)CCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(9-16)5-4-8-14-12(13)15-11-6-2-3-7-11/h10-11,16H,2-9H2,1H3,(H3,13,14,15)
InChIKeyOGLXODFDIJRXBC-UHFFFAOYSA-N
XLogP1.24
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine 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-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine (CID 103859750) is 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine is CC(CO)CCC/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine?
The InChIKey is OGLXODFDIJRXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(9-16)5-4-8-14-12(13)15-11-6-2-3-7-11/h10-11,16H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine?
1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(5-hydroxy-4-methylpentyl)guanidine is sourced from PubChem (CID 103859750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).