3-(dimethylamino)but-2-en-2-ylazanide

C6H13N2- — CID 58555137

IUPAC3-(dimethylamino)but-2-en-2-ylazanide
SMILESCC([NH-])=C(C)N(C)C
InChIInChI=1S/C6H13N2/c1-5(7)6(2)8(3)4/h7H,1-4H3/q-1
InChIKeyLMQSNXILAFLFLV-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.85
Rot. Bonds1

About 3-(dimethylamino)but-2-en-2-ylazanide

3-(dimethylamino)but-2-en-2-ylazanide (PubChem CID 58555137) has the molecular formula C6H13N2- and a molecular weight of 113.18 g/mol. Its IUPAC name is 3-(dimethylamino)but-2-en-2-ylazanide.

Molecular Properties

Compound Name3-(dimethylamino)but-2-en-2-ylazanide
PubChem CID58555137
Molecular FormulaC6H13N2-
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name3-(dimethylamino)but-2-en-2-ylazanide
SMILESCC([NH-])=C(C)N(C)C
InChIInChI=1S/C6H13N2/c1-5(7)6(2)8(3)4/h7H,1-4H3/q-1
InChIKeyLMQSNXILAFLFLV-UHFFFAOYSA-N
XLogP1.85
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(dimethylamino)but-2-en-2-ylazanide with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 15827335
(Z)-3-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 18628260
(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 22971834
3-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 58555138
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 72660473
3-N-methylbut-2-ene-2,3-diamine
CID 76829070
2-N,2-N-dimethylprop-1-ene-1,1,2-triamine
CID 87387205
(E)-3-N-methylbut-2-ene-2,3-diamine
CID 87948904
(E)-3-N-methylbut-2-ene-2,3-diamine;hydrochloride
CID 87959539
(E)-2-N,3-N-dimethylbut-2-ene-2,3-diamine
CID 88408719
(Z)-2-N,3-N,3-N-trimethylbut-2-ene-2,3-diamine
CID 89892448

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)but-2-en-2-ylazanide?
The IUPAC name of 3-(dimethylamino)but-2-en-2-ylazanide (CID 58555137) is 3-(dimethylamino)but-2-en-2-ylazanide.
What is the SMILES notation for 3-(dimethylamino)but-2-en-2-ylazanide?
The canonical SMILES for 3-(dimethylamino)but-2-en-2-ylazanide is CC([NH-])=C(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)but-2-en-2-ylazanide?
The InChIKey is LMQSNXILAFLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-5(7)6(2)8(3)4/h7H,1-4H3/q-1.
What are the key properties of 3-(dimethylamino)but-2-en-2-ylazanide?
3-(dimethylamino)but-2-en-2-ylazanide has a molecular weight of 113.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)but-2-en-2-ylazanide is sourced from PubChem (CID 58555137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).