(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide

C10H17N2P — CID 90966069

IUPAC(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide
SMILESC=[N+](C)[N-]C1=CCCC=C1P(C)C
InChIInChI=1S/C10H17N2P/c1-12(2)11-9-7-5-6-8-10(9)13(3)4/h7-8H,1,5-6H2,2-4H3
InChIKeyBZCFLVDWZGAVJH-UHFFFAOYSA-N
MW196.23 g/mol
LogP2.92
Rot. Bonds3

About (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide

(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide (PubChem CID 90966069) has the molecular formula C10H17N2P and a molecular weight of 196.23 g/mol. Its IUPAC name is (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide.

Molecular Properties

Compound Name(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide
PubChem CID90966069
Molecular FormulaC10H17N2P
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide
SMILESC=[N+](C)[N-]C1=CCCC=C1P(C)C
InChIInChI=1S/C10H17N2P/c1-12(2)11-9-7-5-6-8-10(9)13(3)4/h7-8H,1,5-6H2,2-4H3
InChIKeyBZCFLVDWZGAVJH-UHFFFAOYSA-N
XLogP2.92
TPSA17.11 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide 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

(6-Dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide;ethane
CID 90966068
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
CID 91124842
2,4-Dimethyl-6,7-dihydro-1,2,4-benzodiazaphosphinin-2-ium-1-ide;ethane
CID 91430015
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
CID 91124843
2,4-Dimethyl-6,7-dihydro-1,2,4-benzodiazaphosphinin-2-ium-1-ide
CID 91430016

Frequently Asked Questions

What is the IUPAC name of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide?
The IUPAC name of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide (CID 90966069) is (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide.
What is the SMILES notation for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide?
The canonical SMILES for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide is C=[N+](C)[N-]C1=CCCC=C1P(C)C.
What is the InChIKey of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide?
The InChIKey is BZCFLVDWZGAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2P/c1-12(2)11-9-7-5-6-8-10(9)13(3)4/h7-8H,1,5-6H2,2-4H3.
What are the key properties of (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide?
(6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide has a molecular weight of 196.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide is sourced from PubChem (CID 90966069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).