1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine

C15H24N4 — CID 116515754

IUPAC1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCc1ccccc1CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C15H24N4/c1-12-6-2-3-7-13(12)10-11-17-15(19-16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11,16H2,1H3,(H2,17,18,19)
InChIKeyACJRLSCXQMJSFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.89
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine (PubChem CID 116515754) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
PubChem CID116515754
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCc1ccccc1CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C15H24N4/c1-12-6-2-3-7-13(12)10-11-17-15(19-16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11,16H2,1H3,(H2,17,18,19)
InChIKeyACJRLSCXQMJSFI-UHFFFAOYSA-N
XLogP1.89
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.89
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-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106424851
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
CID 116516539
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
CID 116515958
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine (CID 116515754) is 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine is Cc1ccccc1CC/N=C(\NN)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The InChIKey is ACJRLSCXQMJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-6-2-3-7-13(12)10-11-17-15(19-16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine has a molecular weight of 260.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 116515754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).