N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline

C17H27N — CID 79837088

IUPACN-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC1CCCCC1(C)C
InChIInChI=1S/C17H27N/c1-5-14-10-8-9-13(2)16(14)18-15-11-6-7-12-17(15,3)4/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyLSUKDGYGEQMYRC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.94
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline

N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline (PubChem CID 79837088) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
PubChem CID79837088
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC1CCCCC1(C)C
InChIInChI=1S/C17H27N/c1-5-14-10-8-9-13(2)16(14)18-15-11-6-7-12-17(15,3)4/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyLSUKDGYGEQMYRC-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
CID 63448569
2-ethyl-N-(4-methoxycyclohexyl)-6-methylaniline
CID 113414373
N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448457
2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758818
N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 79828961
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
CID 79870217
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline (CID 79837088) is N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC1CCCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline?
The InChIKey is LSUKDGYGEQMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-14-10-8-9-13(2)16(14)18-15-11-6-7-12-17(15,3)4/h8-10,15,18H,5-7,11-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline?
N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline has a molecular weight of 245.41 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline is sourced from PubChem (CID 79837088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).