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

C15H23N3 — CID 78989923

IUPAC1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCc1ccccc1CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C15H23N3/c1-12-6-2-3-7-13(12)10-11-17-15(16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H3,16,17,18)
InChIKeyODMCXSLOBKVGRQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.38
Rot. Bonds4

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

1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine (PubChem CID 78989923) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
PubChem CID78989923
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCc1ccccc1CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C15H23N3/c1-12-6-2-3-7-13(12)10-11-17-15(16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H3,16,17,18)
InChIKeyODMCXSLOBKVGRQ-UHFFFAOYSA-N
XLogP2.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111100831
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
CID 110917136
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
2-[2-(5-bromo-2-fluorophenyl)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119120172
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
ethyl 4-[[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111044387
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine (CID 78989923) is 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine is Cc1ccccc1CC/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
The InChIKey is ODMCXSLOBKVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-6-2-3-7-13(12)10-11-17-15(16)18-14-8-4-5-9-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine?
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 78989923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).