1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H31N — CID 63407853

IUPAC1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H31N/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-13-14(2)7-8-15(17)3/h7-8,13,16H,6,9-12,20H2,1-5H3
InChIKeyBPEDMDOLOHHRPB-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.08
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63407853) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63407853
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H31N/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-13-14(2)7-8-15(17)3/h7-8,13,16H,6,9-12,20H2,1-5H3
InChIKeyBPEDMDOLOHHRPB-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63407853) is 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is BPEDMDOLOHHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-13-14(2)7-8-15(17)3/h7-8,13,16H,6,9-12,20H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63407853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).