N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline

C15H22N2O2 — CID 64750773

IUPACN-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17(18)19)9-12(15)3/h4-5,9-11,13,16H,6-8H2,1-3H3
InChIKeyBUBYBGDTGFUABA-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.14
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline

N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline (PubChem CID 64750773) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
PubChem CID64750773
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17(18)19)9-12(15)3/h4-5,9-11,13,16H,6-8H2,1-3H3
InChIKeyBUBYBGDTGFUABA-UHFFFAOYSA-N
XLogP4.14
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.14
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'}

Analyze N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-(difluoromethyl)-N-(3-methylcyclobutyl)-4-nitroaniline
CID 113467291
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
2-[ethyl-[3-(2-methyl-4-nitroanilino)cyclobutyl]amino]acetic acid
CID 122062077
2-methyl-N-(2-methyl-4-nitrophenyl)thiolan-3-amine
CID 114080058
4-[(3,5-dimethylcyclohexyl)amino]-3-nitrobenzonitrile
CID 64723564
1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 133348599

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline (CID 64750773) is N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline?
The InChIKey is BUBYBGDTGFUABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17(18)19)9-12(15)3/h4-5,9-11,13,16H,6-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline?
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 64750773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).