4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline

C17H27N — CID 81321095

IUPAC4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
SMILESCCc1ccc(NC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C17H27N/c1-5-14-6-8-15(9-7-14)18-16-10-11-17(3,4)12-13(16)2/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyCQUMRTGLFRBKMH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.88
Rot. Bonds3

About 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline

4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline (PubChem CID 81321095) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
PubChem CID81321095
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
SMILESCCc1ccc(NC2CCC(C)(C)CC2C)cc1
InChIInChI=1S/C17H27N/c1-5-14-6-8-15(9-7-14)18-16-10-11-17(3,4)12-13(16)2/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyCQUMRTGLFRBKMH-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610
4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
N,N-dimethyl-4-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81302611
2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine
CID 81303160
2-N,2-N-dimethyl-5-N-(2,4,4-trimethylcyclohexyl)pyridine-2,5-diamine
CID 81320943
4-(1,3,4-oxadiazol-2-yl)-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81303113
2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 81321644
4-chloro-3-(trifluoromethyl)-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81303206
4-chloro-3-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321504
3-chloro-4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82865048
3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline?
The IUPAC name of 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline (CID 81321095) is 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline.
What is the SMILES notation for 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline?
The canonical SMILES for 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline is CCc1ccc(NC2CCC(C)(C)CC2C)cc1.
What is the InChIKey of 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline?
The InChIKey is CQUMRTGLFRBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-14-6-8-15(9-7-14)18-16-10-11-17(3,4)12-13(16)2/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline?
4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline is sourced from PubChem (CID 81321095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).