hexylimino-(4-methylphenyl)-oxidoazanium

C13H20N2O — CID 14946357

IUPAChexylimino-(4-methylphenyl)-oxidoazanium
SMILESCCCCCC/N=[N+](\[O-])c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-5-6-11-14-15(16)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3/b15-14-
InChIKeyAWFQBYKWJNQKLC-PFONDFGASA-N
MW220.32 g/mol
LogP4.17
Rot. Bonds6

About hexylimino-(4-methylphenyl)-oxidoazanium

hexylimino-(4-methylphenyl)-oxidoazanium (PubChem CID 14946357) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is hexylimino-(4-methylphenyl)-oxidoazanium.

Molecular Properties

Compound Namehexylimino-(4-methylphenyl)-oxidoazanium
PubChem CID14946357
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namehexylimino-(4-methylphenyl)-oxidoazanium
SMILESCCCCCC/N=[N+](\[O-])c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-5-6-11-14-15(16)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3/b15-14-
InChIKeyAWFQBYKWJNQKLC-PFONDFGASA-N
XLogP4.17
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.17
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 hexylimino-(4-methylphenyl)-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

(4-methylphenyl)-(4-nonylphenyl)imino-oxidoazanium
CID 12609942
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
formaldehyde;hexane;1,4-xylene
CID 143308406
oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
CID 177416222
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-octylbenzene
CID 11052746
(4-heptoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177449528
(4-octoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177455412
ethane;heptane;toluene
CID 145106448
decane;sulfane;toluene
CID 157105742

Frequently Asked Questions

What is the IUPAC name of hexylimino-(4-methylphenyl)-oxidoazanium?
The IUPAC name of hexylimino-(4-methylphenyl)-oxidoazanium (CID 14946357) is hexylimino-(4-methylphenyl)-oxidoazanium.
What is the SMILES notation for hexylimino-(4-methylphenyl)-oxidoazanium?
The canonical SMILES for hexylimino-(4-methylphenyl)-oxidoazanium is CCCCCC/N=[N+](\[O-])c1ccc(C)cc1.
What is the InChIKey of hexylimino-(4-methylphenyl)-oxidoazanium?
The InChIKey is AWFQBYKWJNQKLC-PFONDFGASA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-6-11-14-15(16)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3/b15-14-.
What are the key properties of hexylimino-(4-methylphenyl)-oxidoazanium?
hexylimino-(4-methylphenyl)-oxidoazanium has a molecular weight of 220.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexylimino-(4-methylphenyl)-oxidoazanium is sourced from PubChem (CID 14946357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).