1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine

C13H19ClN4 — CID 116511707

IUPAC1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
SMILESCc1c(Cl)cccc1N/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H19ClN4/c1-9-11(14)7-4-8-12(9)17-13(18-15)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,15H2,1H3,(H2,16,17,18)
InChIKeyUNENFJNFBYSUTI-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.82
Rot. Bonds2

About 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine

1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine (PubChem CID 116511707) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine.

Molecular Properties

Compound Name1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
PubChem CID116511707
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
SMILESCc1c(Cl)cccc1N/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H19ClN4/c1-9-11(14)7-4-8-12(9)17-13(18-15)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,15H2,1H3,(H2,16,17,18)
InChIKeyUNENFJNFBYSUTI-UHFFFAOYSA-N
XLogP2.82
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.82
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'}

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Related Compounds

1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
CID 116516391
1-amino-3-(2-chloro-6-methylphenyl)-2-cyclopropylguanidine
CID 116515719
N-amino-3-chloro-N'-cyclopentyl-2-methylbenzenecarboximidamide
CID 107099700
1-amino-3-(3-chloro-2-methylphenyl)-2-propan-2-ylguanidine
CID 116511708
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(2-chloro-6-fluorophenyl)-2-cyclopropylguanidine
CID 116516518
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine?
The IUPAC name of 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine (CID 116511707) is 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine.
What is the SMILES notation for 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine?
The canonical SMILES for 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine is Cc1c(Cl)cccc1N/C(=N/C1CCCC1)NN.
What is the InChIKey of 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine?
The InChIKey is UNENFJNFBYSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-9-11(14)7-4-8-12(9)17-13(18-15)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine?
1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine has a molecular weight of 266.78 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine is sourced from PubChem (CID 116511707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).