N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline

C16H23N3O2 — CID 3451639

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline
SMILESCC(C)(C)C1CCC(=NNc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19(20)21/h4-7,12,18H,8-11H2,1-3H3/b17-13-
InChIKeyQVPVQIZZUCGLBS-LGMDPLHJSA-N
MW289.38 g/mol
LogP4.60
Rot. Bonds3

About N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline

N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline (PubChem CID 3451639) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline
PubChem CID3451639
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline
SMILESCC(C)(C)C1CCC(=NNc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19(20)21/h4-7,12,18H,8-11H2,1-3H3/b17-13-
InChIKeyQVPVQIZZUCGLBS-LGMDPLHJSA-N
XLogP4.60
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.60
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'}

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Related Compounds

N-[(4-methylcyclohexylidene)amino]-2-nitro-4-(trifluoromethyl)aniline
CID 4540398
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
CID 6326525
N-[(4-tert-butylcyclohexylidene)amino]-1,3-benzothiazol-2-amine
CID 4219871
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
2-nitro-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]aniline
CID 4592414
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-nitroaniline
CID 43225012
N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-2-nitroaniline
CID 3112322
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-nitroaniline
CID 9059192
2,4-dinitro-N-[(Z)-(3-phenylcyclohexylidene)amino]aniline
CID 102504507
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
CID 4248848

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline (CID 3451639) is N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline is CC(C)(C)C1CCC(=NNc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline?
The InChIKey is QVPVQIZZUCGLBS-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)12-8-10-13(11-9-12)17-18-14-6-4-5-7-15(14)19(20)21/h4-7,12,18H,8-11H2,1-3H3/b17-13-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline?
N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline has a molecular weight of 289.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-nitroaniline is sourced from PubChem (CID 3451639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).