2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine

C20H33N — CID 64764067

IUPAC2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC(C)(C)C2CCC(C)CC2NC)cc1
InChIInChI=1S/C20H33N/c1-6-16-8-10-17(11-9-16)14-20(3,4)18-12-7-15(2)13-19(18)21-5/h8-11,15,18-19,21H,6-7,12-14H2,1-5H3
InChIKeyROSWHBZCZIXTBH-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.84
Rot. Bonds5

About 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 64764067) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID64764067
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC(C)(C)C2CCC(C)CC2NC)cc1
InChIInChI=1S/C20H33N/c1-6-16-8-10-17(11-9-16)14-20(3,4)18-12-7-15(2)13-19(18)21-5/h8-11,15,18-19,21H,6-7,12-14H2,1-5H3
InChIKeyROSWHBZCZIXTBH-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 64764067) is 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine is CCc1ccc(CC(C)(C)C2CCC(C)CC2NC)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is ROSWHBZCZIXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-16-8-10-17(11-9-16)14-20(3,4)18-12-7-15(2)13-19(18)21-5/h8-11,15,18-19,21H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64764067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).