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

C10H17N3 — CID 91124843

IUPAC[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
SMILESC=[N+](C)[N-]C1=CCCC=C1N(C)C
InChIInChI=1S/C10H17N3/c1-12(2)10-8-6-5-7-9(10)11-13(3)4/h7-8H,3,5-6H2,1-2,4H3
InChIKeyJLSZIYCCCGCHFH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.74
Rot. Bonds3

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

[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide (PubChem CID 91124843) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide.

Molecular Properties

Compound Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
PubChem CID91124843
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
SMILESC=[N+](C)[N-]C1=CCCC=C1N(C)C
InChIInChI=1S/C10H17N3/c1-12(2)10-8-6-5-7-9(10)11-13(3)4/h7-8H,3,5-6H2,1-2,4H3
InChIKeyJLSZIYCCCGCHFH-UHFFFAOYSA-N
XLogP1.74
TPSA20.35 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(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-benzotriazin-2-ium-1-ide;ethane
CID 91199534
(3E)-N-ethyl-N-methyl-2-(methylideneamino)hepta-1,3-dien-3-amine
CID 135270899
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337
(6-Dimethylphosphanylcyclohexa-1,5-dien-1-yl)-[methyl(methylidene)azaniumyl]azanide
CID 90966069

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide?
The IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide (CID 91124843) is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide.
What is the SMILES notation for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide?
The canonical SMILES for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide is C=[N+](C)[N-]C1=CCCC=C1N(C)C.
What is the InChIKey of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide?
The InChIKey is JLSZIYCCCGCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12(2)10-8-6-5-7-9(10)11-13(3)4/h7-8H,3,5-6H2,1-2,4H3.
What are the key properties of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide?
[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide has a molecular weight of 179.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide is sourced from PubChem (CID 91124843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).