N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline

C16H24N2O2 — CID 43733137

IUPACN-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
SMILESCCc1ccc(NC2C(C)CCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-4-13-8-9-14(10-15(13)18(19)20)17-16-11(2)6-5-7-12(16)3/h8-12,16-17H,4-7H2,1-3H3
InChIKeyFTIHFKBIWQUEIF-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.39
Rot. Bonds4

About N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline

N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline (PubChem CID 43733137) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
PubChem CID43733137
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
SMILESCCc1ccc(NC2C(C)CCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O2/c1-4-13-8-9-14(10-15(13)18(19)20)17-16-11(2)6-5-7-12(16)3/h8-12,16-17H,4-7H2,1-3H3
InChIKeyFTIHFKBIWQUEIF-UHFFFAOYSA-N
XLogP4.39
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine
CID 65083573
N-(4-ethyl-3-nitrophenyl)oxolan-3-amine
CID 63335802
N-(cyclopentylmethyl)-4-ethyl-3-nitroaniline
CID 63445406
N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43733213
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
N-butyl-4-ethyl-3-nitroaniline
CID 43733217
N-(2-methylcyclohexyl)-4-nitro-3-propoxyaniline
CID 63669905
N-(2,6-dimethylcyclohexyl)-4-methoxy-2-nitroaniline
CID 43717852
(3S)-N-(4-ethyl-3-nitrophenyl)piperidine-3-carboxamide
CID 81124426
1-N-(2,3-dimethylcyclohexyl)-4-nitrobenzene-1,3-diamine
CID 106748927
3-bromo-N-(2,3-dimethylcyclohexyl)-4-nitroaniline
CID 82862272
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline (CID 43733137) is N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline is CCc1ccc(NC2C(C)CCCC2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline?
The InChIKey is FTIHFKBIWQUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-13-8-9-14(10-15(13)18(19)20)17-16-11(2)6-5-7-12(16)3/h8-12,16-17H,4-7H2,1-3H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline?
N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline has a molecular weight of 276.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline is sourced from PubChem (CID 43733137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).