1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine

C13H25N3O — CID 55063731

IUPAC1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine
SMILESCOC1CCCC1/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H25N3O/c1-17-12-9-5-8-11(12)16-13(14)15-10-6-3-2-4-7-10/h10-12H,2-9H2,1H3,(H3,14,15,16)
InChIKeyOWQLJIXZKVWRPZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds3

About 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine

1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine (PubChem CID 55063731) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine
PubChem CID55063731
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine
SMILESCOC1CCCC1/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H25N3O/c1-17-12-9-5-8-11(12)16-13(14)15-10-6-3-2-4-7-10/h10-12H,2-9H2,1H3,(H3,14,15,16)
InChIKeyOWQLJIXZKVWRPZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-(2-methoxycyclopentyl)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-cyclohexyl-2-(2-methoxycyclopentyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine (CID 55063731) is 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine is COC1CCCC1/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine?
The InChIKey is OWQLJIXZKVWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-17-12-9-5-8-11(12)16-13(14)15-10-6-3-2-4-7-10/h10-12H,2-9H2,1H3,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine?
1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methoxycyclopentyl)guanidine is sourced from PubChem (CID 55063731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).