1-(dimethylamino)ethylidene-dimethylazanium

C6H15N2+ — CID 12544783

IUPAC1-(dimethylamino)ethylidene-dimethylazanium
SMILESCC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H15N2/c1-6(7(2)3)8(4)5/h1-5H3/q+1
InChIKeySVSMIZPSIWQBIS-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.24
Rot. Bonds

About 1-(dimethylamino)ethylidene-dimethylazanium

1-(dimethylamino)ethylidene-dimethylazanium (PubChem CID 12544783) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-(dimethylamino)ethylidene-dimethylazanium.

Molecular Properties

Compound Name1-(dimethylamino)ethylidene-dimethylazanium
PubChem CID12544783
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name1-(dimethylamino)ethylidene-dimethylazanium
SMILESCC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H15N2/c1-6(7(2)3)8(4)5/h1-5H3/q+1
InChIKeySVSMIZPSIWQBIS-UHFFFAOYSA-N
XLogP0.24
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethylidene-dimethylazanium?
The IUPAC name of 1-(dimethylamino)ethylidene-dimethylazanium (CID 12544783) is 1-(dimethylamino)ethylidene-dimethylazanium.
What is the SMILES notation for 1-(dimethylamino)ethylidene-dimethylazanium?
The canonical SMILES for 1-(dimethylamino)ethylidene-dimethylazanium is CC(N(C)C)=[N+](C)C.
What is the InChIKey of 1-(dimethylamino)ethylidene-dimethylazanium?
The InChIKey is SVSMIZPSIWQBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2/c1-6(7(2)3)8(4)5/h1-5H3/q+1.
What are the key properties of 1-(dimethylamino)ethylidene-dimethylazanium?
1-(dimethylamino)ethylidene-dimethylazanium has a molecular weight of 115.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethylidene-dimethylazanium is sourced from PubChem (CID 12544783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).