[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium

C8H19N2+ — CID 135028991

IUPAC[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium
SMILESC/C(=C\C[NH+](C)C)N(C)C
InChIInChI=1S/C8H18N2/c1-8(10(4)5)6-7-9(2)3/h6H,7H2,1-5H3/p+1/b8-6+
InChIKeyNXIKRIQMTAFAGQ-SOFGYWHQSA-O
MW143.25 g/mol
LogP-0.40
Rot. Bonds3

About [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium

[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium (PubChem CID 135028991) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium
PubChem CID135028991
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Name[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium
SMILESC/C(=C\C[NH+](C)C)N(C)C
InChIInChI=1S/C8H18N2/c1-8(10(4)5)6-7-9(2)3/h6H,7H2,1-5H3/p+1/b8-6+
InChIKeyNXIKRIQMTAFAGQ-SOFGYWHQSA-O
XLogP-0.40
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium (CID 135028991) is [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium is C/C(=C\C[NH+](C)C)N(C)C.
What is the InChIKey of [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium?
The InChIKey is NXIKRIQMTAFAGQ-SOFGYWHQSA-O. The full InChI is InChI=1S/C8H18N2/c1-8(10(4)5)6-7-9(2)3/h6H,7H2,1-5H3/p+1/b8-6+.
What are the key properties of [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium?
[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium has a molecular weight of 143.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium is sourced from PubChem (CID 135028991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).