2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine

C17H22N4 — CID 3055144

IUPAC2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
SMILESCc1cc(N/C(N)=N/C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H22N4/c1-12-11-16(14-9-5-6-10-15(14)19-12)21-17(18)20-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChIKeyFVFCSQUOANFPNP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.60
Rot. Bonds2

About 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine

2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine (PubChem CID 3055144) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
PubChem CID3055144
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
SMILESCc1cc(N/C(N)=N/C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H22N4/c1-12-11-16(14-9-5-6-10-15(14)19-12)21-17(18)20-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChIKeyFVFCSQUOANFPNP-UHFFFAOYSA-N
XLogP3.60
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.60
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 2-cyclohexyl-1-(2-methylquinolin-4-yl)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-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine (CID 3055144) is 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine is Cc1cc(N/C(N)=N/C2CCCCC2)c2ccccc2n1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine?
The InChIKey is FVFCSQUOANFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-11-16(14-9-5-6-10-15(14)19-12)21-17(18)20-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine?
2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine has a molecular weight of 282.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine is sourced from PubChem (CID 3055144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).