1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine

C20H33N — CID 81025372

IUPAC1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C20H33N/c1-14-9-15(2)11-17(10-14)19-12-18(20(3,4)5)8-7-16(19)13-21-6/h9-11,16,18-19,21H,7-8,12-13H2,1-6H3
InChIKeyARIYVGVKWKFSQK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.07
Rot. Bonds3

About 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81025372) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81025372
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C20H33N/c1-14-9-15(2)11-17(10-14)19-12-18(20(3,4)5)8-7-16(19)13-21-6/h9-11,16,18-19,21H,7-8,12-13H2,1-6H3
InChIKeyARIYVGVKWKFSQK-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine (CID 81025372) is 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)(C)C)CC1c1cc(C)cc(C)c1.
What is the InChIKey of 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is ARIYVGVKWKFSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14-9-15(2)11-17(10-14)19-12-18(20(3,4)5)8-7-16(19)13-21-6/h9-11,16,18-19,21H,7-8,12-13H2,1-6H3.
What are the key properties of 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).