1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine

C15H24N4 — CID 116515017

IUPAC1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
SMILESCC1CCC(C/N=C(\NN)Nc2ccccc2)CC1
InChIInChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-17-15(19-16)18-14-5-3-2-4-6-14/h2-6,12-13H,7-11,16H2,1H3,(H2,17,18,19)
InChIKeyFVTKDSYEOZNAIK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds3

About 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine

1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine (PubChem CID 116515017) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
PubChem CID116515017
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
SMILESCC1CCC(C/N=C(\NN)Nc2ccccc2)CC1
InChIInChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-17-15(19-16)18-14-5-3-2-4-6-14/h2-6,12-13H,7-11,16H2,1H3,(H2,17,18,19)
InChIKeyFVTKDSYEOZNAIK-UHFFFAOYSA-N
XLogP2.74
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
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-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-3-phenyl-2-propylguanidine
CID 116511382
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
1-amino-2-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylguanidine
CID 106026185
1-amino-3-phenyl-2-(thian-2-ylmethyl)guanidine
CID 116515930
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
CID 116515206
1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
CID 116515233
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine?
The IUPAC name of 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine (CID 116515017) is 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine?
The canonical SMILES for 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine is CC1CCC(C/N=C(\NN)Nc2ccccc2)CC1.
What is the InChIKey of 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine?
The InChIKey is FVTKDSYEOZNAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-7-9-13(10-8-12)11-17-15(19-16)18-14-5-3-2-4-6-14/h2-6,12-13H,7-11,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine?
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine has a molecular weight of 260.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine is sourced from PubChem (CID 116515017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).