2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine

C14H27N3O — CID 55087084

IUPAC2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine
SMILESCC1CCCC(CO)(N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-11-5-4-8-14(9-11,10-18)17-13(15)16-12-6-2-3-7-12/h11-12,18H,2-10H2,1H3,(H3,15,16,17)
InChIKeyKRUWWQOODRMSKB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds3

About 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine

2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine (PubChem CID 55087084) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine
PubChem CID55087084
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine
SMILESCC1CCCC(CO)(N/C(N)=N/C2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-11-5-4-8-14(9-11,10-18)17-13(15)16-12-6-2-3-7-12/h11-12,18H,2-10H2,1H3,(H3,15,16,17)
InChIKeyKRUWWQOODRMSKB-UHFFFAOYSA-N
XLogP1.77
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]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 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine?
The IUPAC name of 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine (CID 55087084) is 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine.
What is the SMILES notation for 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine?
The canonical SMILES for 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine is CC1CCCC(CO)(N/C(N)=N/C2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine?
The InChIKey is KRUWWQOODRMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-5-4-8-14(9-11,10-18)17-13(15)16-12-6-2-3-7-12/h11-12,18H,2-10H2,1H3,(H3,15,16,17).
What are the key properties of 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine?
2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-(hydroxymethyl)-3-methylcyclohexyl]guanidine is sourced from PubChem (CID 55087084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).