3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine

C15H24N4 — CID 116513032

IUPAC3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(CN(C)/C(=N/C2CCCC2)NN)cc1
InChIInChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-19(2)15(18-16)17-14-5-3-4-6-14/h7-10,14H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyUPADQGZIESUGLR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine

3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine (PubChem CID 116513032) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
PubChem CID116513032
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(CN(C)/C(=N/C2CCCC2)NN)cc1
InChIInChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-19(2)15(18-16)17-14-5-3-4-6-14/h7-10,14H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKeyUPADQGZIESUGLR-UHFFFAOYSA-N
XLogP2.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
CID 116513310
3-amino-1-[(3-chlorophenyl)methyl]-2-cyclohexyl-1-methylguanidine
CID 116513862
3-amino-2-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 104885302
3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 104886233
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
CID 62361848
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 116513845
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine (CID 116513032) is 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine is Cc1ccc(CN(C)/C(=N/C2CCCC2)NN)cc1.
What is the InChIKey of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The InChIKey is UPADQGZIESUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-19(2)15(18-16)17-14-5-3-4-6-14/h7-10,14H,3-6,11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine is sourced from PubChem (CID 116513032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).