1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine

C13H18Cl2N4 — CID 116516391

IUPAC1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
SMILESCc1cc(Cl)c(N/C(=N/C2CCCC2)NN)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c1-8-6-11(15)12(7-10(8)14)18-13(19-16)17-9-4-2-3-5-9/h6-7,9H,2-5,16H2,1H3,(H2,17,18,19)
InChIKeyUWQLAPWNIQLILP-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.48
Rot. Bonds2

About 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine

1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine (PubChem CID 116516391) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
PubChem CID116516391
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC Name1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine
SMILESCc1cc(Cl)c(N/C(=N/C2CCCC2)NN)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c1-8-6-11(15)12(7-10(8)14)18-13(19-16)17-9-4-2-3-5-9/h6-7,9H,2-5,16H2,1H3,(H2,17,18,19)
InChIKeyUWQLAPWNIQLILP-UHFFFAOYSA-N
XLogP3.48
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.48
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-3-(3-chloro-2-methylphenyl)-2-cyclopentylguanidine
CID 116511707
1-amino-2-cyclohexyl-3-(2,5-difluoro-4-methylphenyl)guanidine
CID 103587960
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
1-amino-3-(4-bromo-5-fluoro-2-methylphenyl)-2-cyclopentylguanidine
CID 116516504
1-amino-2-cyclopentyl-3-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 116515674
1-amino-2-cyclohexyl-3-(2,6-dichloro-4-fluorophenyl)guanidine
CID 104887975
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
CID 116515436
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine (CID 116516391) is 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine is Cc1cc(Cl)c(N/C(=N/C2CCCC2)NN)cc1Cl.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine?
The InChIKey is UWQLAPWNIQLILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4/c1-8-6-11(15)12(7-10(8)14)18-13(19-16)17-9-4-2-3-5-9/h6-7,9H,2-5,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine?
1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine has a molecular weight of 301.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(2,5-dichloro-4-methylphenyl)guanidine is sourced from PubChem (CID 116516391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).