(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium

C16H34N2O2 — CID 135494237

IUPAC(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
SMILESCC(C)CCCCCCCCCCCCC/[N+]([O-])=N\O
InChIInChI=1S/C16H34N2O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(20)17-19/h16,19H,3-15H2,1-2H3/b18-17+
InChIKeyUREIVUFPWSKDFO-ISLYRVAYSA-N
MW286.46 g/mol
LogP5.68
Rot. Bonds14

About (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium

(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium (PubChem CID 135494237) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium.

Molecular Properties

Compound Name(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
PubChem CID135494237
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
SMILESCC(C)CCCCCCCCCCCCC/[N+]([O-])=N\O
InChIInChI=1S/C16H34N2O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(20)17-19/h16,19H,3-15H2,1-2H3/b18-17+
InChIKeyUREIVUFPWSKDFO-ISLYRVAYSA-N
XLogP5.68
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
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'}

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Related Compounds

(Z)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
CID 135487868
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
nonan-2-ylimino-octyl-oxidoazanium
CID 57350805
8-methyl-N-oxidononan-1-amine
CID 170430879
12-methyltridec-1-yne
CID 10921423
13-nitrotridecan-2-ol
CID 11096871
tris(6-methylheptyl)azanium nitrate
CID 139777041
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
alumane;6-methylheptan-1-ol
CID 174615736
tris(2,7-dimethyloctane);ethane;methane
CID 159869544

Frequently Asked Questions

What is the IUPAC name of (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium?
The IUPAC name of (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium (CID 135494237) is (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium.
What is the SMILES notation for (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium?
The canonical SMILES for (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium is CC(C)CCCCCCCCCCCCC/[N+]([O-])=N\O.
What is the InChIKey of (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium?
The InChIKey is UREIVUFPWSKDFO-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(20)17-19/h16,19H,3-15H2,1-2H3/b18-17+.
What are the key properties of (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium?
(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium has a molecular weight of 286.46 g/mol, XLogP of 5.68, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium is sourced from PubChem (CID 135494237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).