1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine

C18H27N — CID 135079834

IUPAC1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine
SMILESC=CCC1(CNCc2ccccc2C)CCCCC1
InChIInChI=1S/C18H27N/c1-3-11-18(12-7-4-8-13-18)15-19-14-17-10-6-5-9-16(17)2/h3,5-6,9-10,19H,1,4,7-8,11-15H2,2H3
InChIKeyGQZCCMZFDWOJHP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.61
Rot. Bonds6

About 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine

1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine (PubChem CID 135079834) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine
PubChem CID135079834
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine
SMILESC=CCC1(CNCc2ccccc2C)CCCCC1
InChIInChI=1S/C18H27N/c1-3-11-18(12-7-4-8-13-18)15-19-14-17-10-6-5-9-16(17)2/h3,5-6,9-10,19H,1,4,7-8,11-15H2,2H3
InChIKeyGQZCCMZFDWOJHP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine (CID 135079834) is 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine is C=CCC1(CNCc2ccccc2C)CCCCC1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine?
The InChIKey is GQZCCMZFDWOJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-11-18(12-7-4-8-13-18)15-19-14-17-10-6-5-9-16(17)2/h3,5-6,9-10,19H,1,4,7-8,11-15H2,2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine?
1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 135079834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).