2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride

C14H22ClN5 — CID 53308012

IUPAC2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N/Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C14H21N5.ClH/c15-13(16)19-14(18-12-8-4-5-9-12)17-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10H2,(H5,15,16,17,18,19);1H
InChIKeyBSFKPFPHQBMNHO-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.77
Rot. Bonds3

About 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride

2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 53308012) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
PubChem CID53308012
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(=N/Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C14H21N5.ClH/c15-13(16)19-14(18-12-8-4-5-9-12)17-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10H2,(H5,15,16,17,18,19);1H
InChIKeyBSFKPFPHQBMNHO-UHFFFAOYSA-N
XLogP1.77
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride 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-cyclohexyl-3-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride
CID 53307935
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide
CID 138972672
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
2-[(1-benzylpyrazol-3-yl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120913603
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
2-benzylimino-2-cyclopentylethanamine
CID 144840714

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride (CID 53308012) is 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride is Cl.NC(N)=N/C(=N/Cc1ccccc1)NC1CCCC1.
What is the InChIKey of 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is BSFKPFPHQBMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c15-13(16)19-14(18-12-8-4-5-9-12)17-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10H2,(H5,15,16,17,18,19);1H.
What are the key properties of 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride?
2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 53308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).