1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine

C19H31N — CID 64731313

IUPAC1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C19H31N/c1-13-6-14(2)9-17(8-13)12-19(20-5)18-10-15(3)7-16(4)11-18/h6,8-9,15-16,18-20H,7,10-12H2,1-5H3
InChIKeyZDOJVPOXQRYDHR-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.51
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine

1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 64731313) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID64731313
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C19H31N/c1-13-6-14(2)9-17(8-13)12-19(20-5)18-10-15(3)7-16(4)11-18/h6,8-9,15-16,18-20H,7,10-12H2,1-5H3
InChIKeyZDOJVPOXQRYDHR-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.51
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)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine (CID 64731313) is 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZDOJVPOXQRYDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13-6-14(2)9-17(8-13)12-19(20-5)18-10-15(3)7-16(4)11-18/h6,8-9,15-16,18-20H,7,10-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.51, 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)-2-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 64731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).