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

C12H23N3 — CID 91124842

IUPAC[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
SMILESC=[N+](C)[N-]C1=CCCC=C1N(C)C.CC
InChIInChI=1S/C10H17N3.C2H6/c1-12(2)10-8-6-5-7-9(10)11-13(3)4;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3
InChIKeyGGSXPFDHEAQZJG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.77
Rot. Bonds3

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

[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane (PubChem CID 91124842) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane.

Molecular Properties

Compound Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
PubChem CID91124842
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
SMILESC=[N+](C)[N-]C1=CCCC=C1N(C)C.CC
InChIInChI=1S/C10H17N3.C2H6/c1-12(2)10-8-6-5-7-9(10)11-13(3)4;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3
InChIKeyGGSXPFDHEAQZJG-UHFFFAOYSA-N
XLogP2.77
TPSA20.35 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.77
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
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
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide
CID 91124843

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane?
The IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane (CID 91124842) is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane.
What is the SMILES notation for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane?
The canonical SMILES for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane is C=[N+](C)[N-]C1=CCCC=C1N(C)C.CC.
What is the InChIKey of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane?
The InChIKey is GGSXPFDHEAQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-12(2)10-8-6-5-7-9(10)11-13(3)4;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3.
What are the key properties of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane?
[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane has a molecular weight of 209.34 g/mol, XLogP of 2.77, 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;ethane is sourced from PubChem (CID 91124842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).