2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

C17H27N — CID 81321644

IUPAC2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C17H27N/c1-13-5-7-15(8-6-13)12-18-16-9-10-17(3,4)11-14(16)2/h5-8,14,16,18H,9-12H2,1-4H3
InChIKeyOJULOFUUPLEBCY-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.30
Rot. Bonds3

About 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 81321644) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID81321644
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C17H27N/c1-13-5-7-15(8-6-13)12-18-16-9-10-17(3,4)11-14(16)2/h5-8,14,16,18H,9-12H2,1-4H3
InChIKeyOJULOFUUPLEBCY-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320852
2,4,4-trimethyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 81321590
2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
CID 114698950
4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732727
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 103114591
2-fluoro-5-methyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81320855
2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine
CID 81321137

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (CID 81321644) is 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(CNC2CCC(C)(C)CC2C)cc1.
What is the InChIKey of 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is OJULOFUUPLEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-5-7-15(8-6-13)12-18-16-9-10-17(3,4)11-14(16)2/h5-8,14,16,18H,9-12H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 81321644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).