N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline

C14H20N2O2 — CID 126549261

IUPACN-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1(C)CCCCC1
InChIInChI=1S/C14H20N2O2/c1-14(10-4-3-5-11-14)15(2)12-6-8-13(9-7-12)16(17)18/h6-9H,3-5,10-11H2,1-2H3
InChIKeyRWAHBGRYLPAQFS-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline

N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline (PubChem CID 126549261) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline.

Molecular Properties

Compound NameN-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
PubChem CID126549261
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
SMILESCN(c1ccc([N+](=O)[O-])cc1)C1(C)CCCCC1
InChIInChI=1S/C14H20N2O2/c1-14(10-4-3-5-11-14)15(2)12-6-8-13(9-7-12)16(17)18/h6-9H,3-5,10-11H2,1-2H3
InChIKeyRWAHBGRYLPAQFS-UHFFFAOYSA-N
XLogP3.75
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
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-methyl-N-(1-methylcyclohexyl)-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

1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine
CID 165485999
iodo-(N-methyl-4-nitroanilino)azanide
CID 163783585
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
N-methyl-N-(4-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119011
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430478
N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 126830526
4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446
2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83079551
benzyl N-(3-methylpiperidin-3-yl)-N-(4-nitrophenyl)carbamate
CID 71227267
N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-nitrobenzamide
CID 7260205

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline?
The IUPAC name of N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline (CID 126549261) is N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline.
What is the SMILES notation for N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline?
The canonical SMILES for N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline is CN(c1ccc([N+](=O)[O-])cc1)C1(C)CCCCC1.
What is the InChIKey of N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline?
The InChIKey is RWAHBGRYLPAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(10-4-3-5-11-14)15(2)12-6-8-13(9-7-12)16(17)18/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline?
N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline has a molecular weight of 248.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylcyclohexyl)-4-nitroaniline is sourced from PubChem (CID 126549261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).