1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine

C31H51N7 — CID 102321701

IUPAC1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
SMILESc1cc(N/C(=N/C2CCCCC2)NC2CCCCC2)nc(N/C(=N/C2CCCCC2)NC2CCCCC2)c1
InChIInChI=1S/C31H51N7/c1-5-14-24(15-6-1)32-30(33-25-16-7-2-8-17-25)37-28-22-13-23-29(36-28)38-31(34-26-18-9-3-10-19-26)35-27-20-11-4-12-21-27/h13,22-27H,1-12,14-21H2,(H4,32,33,34,35,36,37,38)
InChIKeyACGCMPFQECMJBV-UHFFFAOYSA-N
MW521.80 g/mol
LogP7.13
Rot. Bonds6

About 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine

1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine (PubChem CID 102321701) has the molecular formula C31H51N7 and a molecular weight of 521.80 g/mol. Its IUPAC name is 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
PubChem CID102321701
Molecular FormulaC31H51N7
Molecular Weight521.80 g/mol
Exact Mass521.42
IUPAC Name1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
SMILESc1cc(N/C(=N/C2CCCCC2)NC2CCCCC2)nc(N/C(=N/C2CCCCC2)NC2CCCCC2)c1
InChIInChI=1S/C31H51N7/c1-5-14-24(15-6-1)32-30(33-25-16-7-2-8-17-25)37-28-22-13-23-29(36-28)38-31(34-26-18-9-3-10-19-26)35-27-20-11-4-12-21-27/h13,22-27H,1-12,14-21H2,(H4,32,33,34,35,36,37,38)
InChIKeyACGCMPFQECMJBV-UHFFFAOYSA-N
XLogP7.13
TPSA85.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.80
LogP ≤ 57.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121729
4-[(N,N'-dicyclohexylcarbamimidoyl)amino]benzoate
CID 163926985
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine
CID 118470414
1,2-dicyclohexyl-3-(3,5-dichloro-4-methoxyphenyl)guanidine
CID 139721180
1,2-dicyclohexyl-3-pyridin-1-ium-1-ylguanidine iodide
CID 154879292
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine?
The IUPAC name of 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine (CID 102321701) is 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine.
What is the SMILES notation for 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine?
The canonical SMILES for 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine is c1cc(N/C(=N/C2CCCCC2)NC2CCCCC2)nc(N/C(=N/C2CCCCC2)NC2CCCCC2)c1.
What is the InChIKey of 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine?
The InChIKey is ACGCMPFQECMJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N7/c1-5-14-24(15-6-1)32-30(33-25-16-7-2-8-17-25)37-28-22-13-23-29(36-28)38-31(34-26-18-9-3-10-19-26)35-27-20-11-4-12-21-27/h13,22-27H,1-12,14-21H2,(H4,32,33,34,35,36,37,38).
What are the key properties of 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine?
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine has a molecular weight of 521.80 g/mol, XLogP of 7.13, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine is sourced from PubChem (CID 102321701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).