2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline

C17H26N2O2 — CID 103145164

IUPAC2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-5-14-6-8-15(9-7-14)18-16-10-13(3)17(19(20)21)11-12(16)2/h10-11,14-15,18H,4-9H2,1-3H3
InChIKeyARCXJRQEIDFQNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.98
Rot. Bonds5

About 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline

2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline (PubChem CID 103145164) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
PubChem CID103145164
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-5-14-6-8-15(9-7-14)18-16-10-13(3)17(19(20)21)11-12(16)2/h10-11,14-15,18H,4-9H2,1-3H3
InChIKeyARCXJRQEIDFQNT-UHFFFAOYSA-N
XLogP4.98
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.98
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-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
CID 43746554
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
2-bromo-N-(4-ethylcyclohexyl)-4-methyl-5-nitroaniline
CID 104815054
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
2,5-dimethyl-4-[(4-propylcyclohexyl)amino]phenol
CID 106954098
N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
CID 103144891
N-(2-methyl-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086869
N-(2-bromo-4-methyl-5-nitrophenyl)-4-ethylcycloheptan-1-amine
CID 104814806
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183
N-(2,5-dimethyl-4-nitrophenyl)-1-methylazepan-4-amine
CID 103144841
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline (CID 103145164) is 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C)CC1.
What is the InChIKey of 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline?
The InChIKey is ARCXJRQEIDFQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-14-6-8-15(9-7-14)18-16-10-13(3)17(19(20)21)11-12(16)2/h10-11,14-15,18H,4-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline?
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline has a molecular weight of 290.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 103145164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).