1-dimethylazaniumylideneethyl(trimethyl)azanium

C7H18N2+2 — CID 21337114

IUPAC1-dimethylazaniumylideneethyl(trimethyl)azanium
SMILESCC(=[N+](C)C)[N+](C)(C)C
InChIInChI=1S/C7H18N2/c1-7(8(2)3)9(4,5)6/h1-6H3/q+2
InChIKeySNQLRBZCIGFZQA-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.38
Rot. Bonds

About 1-dimethylazaniumylideneethyl(trimethyl)azanium

1-dimethylazaniumylideneethyl(trimethyl)azanium (PubChem CID 21337114) has the molecular formula C7H18N2+2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-dimethylazaniumylideneethyl(trimethyl)azanium.

Molecular Properties

Compound Name1-dimethylazaniumylideneethyl(trimethyl)azanium
PubChem CID21337114
Molecular FormulaC7H18N2+2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-dimethylazaniumylideneethyl(trimethyl)azanium
SMILESCC(=[N+](C)C)[N+](C)(C)C
InChIInChI=1S/C7H18N2/c1-7(8(2)3)9(4,5)6/h1-6H3/q+2
InChIKeySNQLRBZCIGFZQA-UHFFFAOYSA-N
XLogP0.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethylazaniumylideneethyl(trimethyl)azanium?
The IUPAC name of 1-dimethylazaniumylideneethyl(trimethyl)azanium (CID 21337114) is 1-dimethylazaniumylideneethyl(trimethyl)azanium.
What is the SMILES notation for 1-dimethylazaniumylideneethyl(trimethyl)azanium?
The canonical SMILES for 1-dimethylazaniumylideneethyl(trimethyl)azanium is CC(=[N+](C)C)[N+](C)(C)C.
What is the InChIKey of 1-dimethylazaniumylideneethyl(trimethyl)azanium?
The InChIKey is SNQLRBZCIGFZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(8(2)3)9(4,5)6/h1-6H3/q+2.
What are the key properties of 1-dimethylazaniumylideneethyl(trimethyl)azanium?
1-dimethylazaniumylideneethyl(trimethyl)azanium has a molecular weight of 130.23 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylazaniumylideneethyl(trimethyl)azanium is sourced from PubChem (CID 21337114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).