nonan-2-ylimino-octyl-oxidoazanium

C17H36N2O — CID 57350805

IUPACnonan-2-ylimino-octyl-oxidoazanium
SMILESCCCCCCCC/[N+]([O-])=N/C(C)CCCCCCC
InChIInChI=1S/C17H36N2O/c1-4-6-8-10-12-14-16-19(20)18-17(3)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3/b19-18-
InChIKeyCTFMSLBEFNOOFO-HNENSFHCSA-N
MW284.49 g/mol
LogP6.06
Rot. Bonds14

About nonan-2-ylimino-octyl-oxidoazanium

nonan-2-ylimino-octyl-oxidoazanium (PubChem CID 57350805) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is nonan-2-ylimino-octyl-oxidoazanium.

Molecular Properties

Compound Namenonan-2-ylimino-octyl-oxidoazanium
PubChem CID57350805
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Namenonan-2-ylimino-octyl-oxidoazanium
SMILESCCCCCCCC/[N+]([O-])=N/C(C)CCCCCCC
InChIInChI=1S/C17H36N2O/c1-4-6-8-10-12-14-16-19(20)18-17(3)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3/b19-18-
InChIKeyCTFMSLBEFNOOFO-HNENSFHCSA-N
XLogP6.06
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.06
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 nonan-2-ylimino-octyl-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

dodecyl-hydroxyimino-oxidoazanium
CID 163791122
hexyl-oxido-oxidoiminoazanium
CID 177438767
di(octan-2-yl)diazene
CID 139695075
(E)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
CID 135494237
(Z)-hydroxyimino-(14-methylpentadecyl)-oxidoazanium
CID 135487868
2-nitropentadecane
CID 87201105
N-dodecylmethanimine oxide
CID 174690762
9-nitroheptadecane;6-nitropentadecane;1-nitrotridecane
CID 87201342
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
1-nitroheptane;5-nitrononane;6-nitroundecane
CID 87201345
7-nitrohexadecane
CID 87201115

Frequently Asked Questions

What is the IUPAC name of nonan-2-ylimino-octyl-oxidoazanium?
The IUPAC name of nonan-2-ylimino-octyl-oxidoazanium (CID 57350805) is nonan-2-ylimino-octyl-oxidoazanium.
What is the SMILES notation for nonan-2-ylimino-octyl-oxidoazanium?
The canonical SMILES for nonan-2-ylimino-octyl-oxidoazanium is CCCCCCCC/[N+]([O-])=N/C(C)CCCCCCC.
What is the InChIKey of nonan-2-ylimino-octyl-oxidoazanium?
The InChIKey is CTFMSLBEFNOOFO-HNENSFHCSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-6-8-10-12-14-16-19(20)18-17(3)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3/b19-18-.
What are the key properties of nonan-2-ylimino-octyl-oxidoazanium?
nonan-2-ylimino-octyl-oxidoazanium has a molecular weight of 284.49 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-ylimino-octyl-oxidoazanium is sourced from PubChem (CID 57350805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).