N-(cyclohexylideneamino)-4-nitroaniline

C12H15N3O2 — CID 616169

IUPACN-(cyclohexylideneamino)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h6-9,14H,1-5H2
InChIKeyNCXJXQHKNOCCOV-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.33
Rot. Bonds3

About N-(cyclohexylideneamino)-4-nitroaniline

N-(cyclohexylideneamino)-4-nitroaniline (PubChem CID 616169) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-nitroaniline.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-nitroaniline
PubChem CID616169
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(cyclohexylideneamino)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h6-9,14H,1-5H2
InChIKeyNCXJXQHKNOCCOV-UHFFFAOYSA-N
XLogP3.33
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-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-(cyclododecylideneamino)-3-nitroaniline
CID 4035355
N-(4-nitrophenoxy)cyclohexanimine
CID 2927145
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-nitroaniline
CID 3449998
N-[(E)-(15-methyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-2-ylidene)amino]-4-nitroaniline
CID 42648088
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
2-(2-cycloheptylidenehydrazinyl)-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3616711
2-(azepan-1-ylsulfonyl)-N-(cycloheptylideneamino)-4-nitroaniline
CID 4086650
(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
CID 6251364
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123
(3E)-4,4-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]oxolan-2-one
CID 5337667
N-bromo-4-nitroaniline
CID 54285277
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-4-nitroaniline
CID 7458644

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-nitroaniline?
The IUPAC name of N-(cyclohexylideneamino)-4-nitroaniline (CID 616169) is N-(cyclohexylideneamino)-4-nitroaniline.
What is the SMILES notation for N-(cyclohexylideneamino)-4-nitroaniline?
The canonical SMILES for N-(cyclohexylideneamino)-4-nitroaniline is O=[N+]([O-])c1ccc(NN=C2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-nitroaniline?
The InChIKey is NCXJXQHKNOCCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h6-9,14H,1-5H2.
What are the key properties of N-(cyclohexylideneamino)-4-nitroaniline?
N-(cyclohexylideneamino)-4-nitroaniline has a molecular weight of 233.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-nitroaniline is sourced from PubChem (CID 616169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).