N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline

C16H24N2O2 — CID 103145121

IUPACN-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(C)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-11-10-16(18(19)20)12(2)9-15(11)17-13(3)14-7-5-4-6-8-14/h9-10,13-14,17H,4-8H2,1-3H3
InChIKeyIVLTYEWNVZUNTB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.59
Rot. Bonds4

About N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline

N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline (PubChem CID 103145121) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
PubChem CID103145121
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(C)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-11-10-16(18(19)20)12(2)9-15(11)17-13(3)14-7-5-4-6-8-14/h9-10,13-14,17H,4-8H2,1-3H3
InChIKeyIVLTYEWNVZUNTB-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

N-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991
2-bromo-N-(1-cyclopropylethyl)-4-methyl-5-nitroaniline
CID 113456266
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
N-(1-cyclobutylethyl)-3-methyl-4-nitroaniline
CID 115766646
N-(1-cyclopropyl-2-methoxyethyl)-2,5-dimethyl-4-nitroaniline
CID 103144895
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
4-bromo-N-(1-cyclohexylethyl)-3-nitroaniline
CID 79767906
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
3-(1-cyclopentylethylamino)-4-nitrobenzamide
CID 82995881
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline?
The IUPAC name of N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline (CID 103145121) is N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline is Cc1cc([N+](=O)[O-])c(C)cc1NC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline?
The InChIKey is IVLTYEWNVZUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-10-16(18(19)20)12(2)9-15(11)17-13(3)14-7-5-4-6-8-14/h9-10,13-14,17H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline?
N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline has a molecular weight of 276.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2,5-dimethyl-4-nitroaniline is sourced from PubChem (CID 103145121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).