(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium

C22H30N2O — CID 12609942

IUPAC(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium
SMILESCCCCCCCCCc1ccc(/N=[N+](\[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-5-6-7-8-9-10-20-13-15-21(16-14-20)23-24(25)22-17-11-19(2)12-18-22/h11-18H,3-10H2,1-2H3/b24-23-
InChIKeyGJLFVZIYVIWPAC-VHXPQNKSSA-N
MW338.50 g/mol
LogP7.21
Rot. Bonds10

About (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium

(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium (PubChem CID 12609942) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium
PubChem CID12609942
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium
SMILESCCCCCCCCCc1ccc(/N=[N+](\[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-5-6-7-8-9-10-20-13-15-21(16-14-20)23-24(25)22-17-11-19(2)12-18-22/h11-18H,3-10H2,1-2H3/b24-23-
InChIKeyGJLFVZIYVIWPAC-VHXPQNKSSA-N
XLogP7.21
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium 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-methyl-4-octylbenzene
CID 11052746
(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
CID 21449610
hexylimino-(4-methylphenyl)-oxidoazanium
CID 14946357
(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
CID 177416222
1-hexyl-4-methylbenzene;toluene
CID 173071388
bis(4-decylphenyl)diazene
CID 71359462
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
(4-heptoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177449528
(4-octoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177455412
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium?
The IUPAC name of (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium (CID 12609942) is (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium.
What is the SMILES notation for (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium?
The canonical SMILES for (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium is CCCCCCCCCc1ccc(/N=[N+](\[O-])c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium?
The InChIKey is GJLFVZIYVIWPAC-VHXPQNKSSA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-4-5-6-7-8-9-10-20-13-15-21(16-14-20)23-24(25)22-17-11-19(2)12-18-22/h11-18H,3-10H2,1-2H3/b24-23-.
What are the key properties of (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium?
(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium has a molecular weight of 338.50 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium is sourced from PubChem (CID 12609942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).