2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde

C14H16N2O3 — CID 142621685

IUPAC2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])cc1/C=N/C1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-10-11-6-7-14(16(18)19)8-12(11)9-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-9+
InChIKeyHVZSHHKCQBRWLZ-OQLLNIDSSA-N
MW260.29 g/mol
LogP3.16
Rot. Bonds4

About 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde

2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde (PubChem CID 142621685) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde
PubChem CID142621685
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])cc1/C=N/C1CCCCC1
InChIInChI=1S/C14H16N2O3/c17-10-11-6-7-14(16(18)19)8-12(11)9-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-9+
InChIKeyHVZSHHKCQBRWLZ-OQLLNIDSSA-N
XLogP3.16
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

2-cyclododecyl-6-(cyclohexyliminomethyl)-4-nitrophenol
CID 135982206
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitrophenol
CID 135595655
2-[(Z)-(cyclohexylmethylhydrazinylidene)methyl]-4-nitrophenolate
CID 7244718
2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]iminomethyl]-4-nitrophenol
CID 135848248
2-[(1-ethylpiperidin-4-yl)iminomethyl]-4-nitrophenol
CID 135598107
(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
CID 168531238
2-[(1-ethoxycarbonylpiperidin-4-yl)iminomethyl]-4-nitrophenolate
CID 7611658
2-[cyclobutylmethyl(methyl)amino]-5-nitrobenzaldehyde
CID 62860800
2-(3-methylpiperidin-1-yl)-5-nitrobenzaldehyde
CID 43083204
N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 23343969
5-nitro-2-(4-propan-2-ylpiperidin-1-yl)benzaldehyde
CID 103497725

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde?
The IUPAC name of 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde (CID 142621685) is 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde.
What is the SMILES notation for 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde?
The canonical SMILES for 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde is O=Cc1ccc([N+](=O)[O-])cc1/C=N/C1CCCCC1.
What is the InChIKey of 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde?
The InChIKey is HVZSHHKCQBRWLZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-10-11-6-7-14(16(18)19)8-12(11)9-15-13-4-2-1-3-5-13/h6-10,13H,1-5H2/b15-9+.
What are the key properties of 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde?
2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde has a molecular weight of 260.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)-4-nitrobenzaldehyde is sourced from PubChem (CID 142621685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).