4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

C20H33N — CID 63401757

IUPAC4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-14-7-8-16(11-15(14)2)12-17-13-18(20(3,4)5)9-10-19(17)21-6/h7-8,11,17-19,21H,9-10,12-13H2,1-6H3
InChIKeyHJLHAYYEJPAELQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.90
Rot. Bonds3

About 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 63401757) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID63401757
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H33N/c1-14-7-8-16(11-15(14)2)12-17-13-18(20(3,4)5)9-10-19(17)21-6/h7-8,11,17-19,21H,9-10,12-13H2,1-6H3
InChIKeyHJLHAYYEJPAELQ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 63401757) is 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is HJLHAYYEJPAELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14-7-8-16(11-15(14)2)12-17-13-18(20(3,4)5)9-10-19(17)21-6/h7-8,11,17-19,21H,9-10,12-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63401757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).