1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine

C18H29N — CID 64730116

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-13-5-7-16(8-6-13)12-18(19-4)17-10-14(2)9-15(3)11-17/h5-8,14-15,17-19H,9-12H2,1-4H3
InChIKeyGYBNQAZKQVPJSI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 64730116) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID64730116
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-13-5-7-16(8-6-13)12-18(19-4)17-10-14(2)9-15(3)11-17/h5-8,14-15,17-19H,9-12H2,1-4H3
InChIKeyGYBNQAZKQVPJSI-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 64730116) is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is GYBNQAZKQVPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-5-7-16(8-6-13)12-18(19-4)17-10-14(2)9-15(3)11-17/h5-8,14-15,17-19H,9-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64730116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).