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

C19H31N — CID 63408173

IUPAC2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C
InChIInChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3
InChIKeyWBQHGTPUTIDGQW-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.78
Rot. Bonds2

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

2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63408173) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63408173
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C
InChIInChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3
InChIKeyWBQHGTPUTIDGQW-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine (CID 63408173) is 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C.
What is the InChIKey of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is WBQHGTPUTIDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).