di(cyclononen-1-yl)azaniumylideneazanide

C18H30N2 — CID 57137635

IUPACdi(cyclononen-1-yl)azaniumylideneazanide
SMILES[N-]=[N+](C1=CCCCCCCC1)C1=CCCCCCCC1
InChIInChI=1S/C18H30N2/c19-20(17-13-9-5-1-2-6-10-14-17)18-15-11-7-3-4-8-12-16-18/h13,15H,1-12,14,16H2
InChIKeyVTDVZUWQAWWTRA-UHFFFAOYSA-N
MW274.45 g/mol
LogP6.28
Rot. Bonds2

About di(cyclononen-1-yl)azaniumylideneazanide

di(cyclononen-1-yl)azaniumylideneazanide (PubChem CID 57137635) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is di(cyclononen-1-yl)azaniumylideneazanide.

Molecular Properties

Compound Namedi(cyclononen-1-yl)azaniumylideneazanide
PubChem CID57137635
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Namedi(cyclononen-1-yl)azaniumylideneazanide
SMILES[N-]=[N+](C1=CCCCCCCC1)C1=CCCCCCCC1
InChIInChI=1S/C18H30N2/c19-20(17-13-9-5-1-2-6-10-14-17)18-15-11-7-3-4-8-12-16-18/h13,15H,1-12,14,16H2
InChIKeyVTDVZUWQAWWTRA-UHFFFAOYSA-N
XLogP6.28
TPSA25.31 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze di(cyclononen-1-yl)azaniumylideneazanide 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-nitrocyclooctene
CID 54042772
ethane;1-nitrocyclohexene
CID 123419787
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1Z)-cyclododecen-1-ol
CID 69035385
cyclohexadecen-1-amine
CID 175415425
(1E)-1-iodocyclononene
CID 169083106
1-iodocyclodecene
CID 72665352
cyclodecen-1-yl-[(1E)-cyclodecen-1-yl]phosphane
CID 173167887
(1E)-1-bromocyclododecene
CID 12594202
(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107

Frequently Asked Questions

What is the IUPAC name of di(cyclononen-1-yl)azaniumylideneazanide?
The IUPAC name of di(cyclononen-1-yl)azaniumylideneazanide (CID 57137635) is di(cyclononen-1-yl)azaniumylideneazanide.
What is the SMILES notation for di(cyclononen-1-yl)azaniumylideneazanide?
The canonical SMILES for di(cyclononen-1-yl)azaniumylideneazanide is [N-]=[N+](C1=CCCCCCCC1)C1=CCCCCCCC1.
What is the InChIKey of di(cyclononen-1-yl)azaniumylideneazanide?
The InChIKey is VTDVZUWQAWWTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c19-20(17-13-9-5-1-2-6-10-14-17)18-15-11-7-3-4-8-12-16-18/h13,15H,1-12,14,16H2.
What are the key properties of di(cyclononen-1-yl)azaniumylideneazanide?
di(cyclononen-1-yl)azaniumylideneazanide has a molecular weight of 274.45 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclononen-1-yl)azaniumylideneazanide is sourced from PubChem (CID 57137635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).