2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine

C17H27N — CID 54918914

IUPAC2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1C1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C17H27N/c1-13-9-5-6-10-14(13)17(18)12-8-7-11-15(17)16(2,3)4/h5-6,9-10,15H,7-8,11-12,18H2,1-4H3
InChIKeyKOZMAENKJUGSFN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds1

About 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine

2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine (PubChem CID 54918914) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
PubChem CID54918914
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1C1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C17H27N/c1-13-9-5-6-10-14(13)17(18)12-8-7-11-15(17)16(2,3)4/h5-6,9-10,15H,7-8,11-12,18H2,1-4H3
InChIKeyKOZMAENKJUGSFN-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine (CID 54918914) is 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine is Cc1ccccc1C1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine?
The InChIKey is KOZMAENKJUGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-9-5-6-10-14(13)17(18)12-8-7-11-15(17)16(2,3)4/h5-6,9-10,15H,7-8,11-12,18H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine?
2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 54918914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).