2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine

C17H34N4 — CID 10589924

IUPAC2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCCCN1CCCC1
InChIInChI=1S/C17H34N4/c18-17(20-15-16-9-3-1-4-10-16)19-11-5-2-6-12-21-13-7-8-14-21/h16H,1-15H2,(H3,18,19,20)
InChIKeyRBGVDMBCRCCVQD-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.74
Rot. Bonds8

About 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine

2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine (PubChem CID 10589924) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
PubChem CID10589924
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
SMILESN/C(=N\CC1CCCCC1)NCCCCCN1CCCC1
InChIInChI=1S/C17H34N4/c18-17(20-15-16-9-3-1-4-10-16)19-11-5-2-6-12-21-13-7-8-14-21/h16H,1-15H2,(H3,18,19,20)
InChIKeyRBGVDMBCRCCVQD-UHFFFAOYSA-N
XLogP2.74
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
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 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)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

2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
CID 111809668
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 120580676
2-(1-adamantylmethyl)-1-[5-(azocan-1-yl)pentyl]guanidine;dihydrochloride
CID 22500553
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine (CID 10589924) is 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine is N/C(=N\CC1CCCCC1)NCCCCCN1CCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine?
The InChIKey is RBGVDMBCRCCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c18-17(20-15-16-9-3-1-4-10-16)19-11-5-2-6-12-21-13-7-8-14-21/h16H,1-15H2,(H3,18,19,20).
What are the key properties of 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine?
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine has a molecular weight of 294.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine is sourced from PubChem (CID 10589924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).