1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine

C12H17ClN4 — CID 116512323

IUPAC1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
SMILESNN/C(=N\C1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN4/c13-9-5-7-11(8-6-9)16-12(17-14)15-10-3-1-2-4-10/h5-8,10H,1-4,14H2,(H2,15,16,17)
InChIKeyCBFVIFJSIAOQAR-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.51
Rot. Bonds2

About 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine

1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine (PubChem CID 116512323) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
PubChem CID116512323
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
SMILESNN/C(=N\C1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN4/c13-9-5-7-11(8-6-9)16-12(17-14)15-10-3-1-2-4-10/h5-8,10H,1-4,14H2,(H2,15,16,17)
InChIKeyCBFVIFJSIAOQAR-UHFFFAOYSA-N
XLogP2.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine 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-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-3-(3-chloro-4-fluorophenyl)-2-cyclopropylguanidine
CID 116511301
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylguanidine
CID 116701068
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514981
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
CID 116511707

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine?
The IUPAC name of 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine (CID 116512323) is 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine.
What is the SMILES notation for 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine?
The canonical SMILES for 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine is NN/C(=N\C1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine?
The InChIKey is CBFVIFJSIAOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-9-5-7-11(8-6-9)16-12(17-14)15-10-3-1-2-4-10/h5-8,10H,1-4,14H2,(H2,15,16,17).
What are the key properties of 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine?
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine has a molecular weight of 252.75 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine is sourced from PubChem (CID 116512323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).