N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline

C19H31N — CID 63448569

IUPACN-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31N/c1-6-15-9-7-8-14(2)18(15)20-17-12-10-16(11-13-17)19(3,4)5/h7-9,16-17,20H,6,10-13H2,1-5H3
InChIKeyPBUBRWBJDQABOR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.57
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline

N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline (PubChem CID 63448569) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
PubChem CID63448569
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H31N/c1-6-15-9-7-8-14(2)18(15)20-17-12-10-16(11-13-17)19(3,4)5/h7-9,16-17,20H,6,10-13H2,1-5H3
InChIKeyPBUBRWBJDQABOR-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
2-ethyl-N-(4-methoxycyclohexyl)-6-methylaniline
CID 113414373
2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758818
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
CID 79837088
4-tert-butyl-N-(2,6-difluorophenyl)cycloheptan-1-amine
CID 65090003
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626584
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline (CID 63448569) is N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline?
The InChIKey is PBUBRWBJDQABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-15-9-7-8-14(2)18(15)20-17-12-10-16(11-13-17)19(3,4)5/h7-9,16-17,20H,6,10-13H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline?
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline has a molecular weight of 273.46 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).