3-N,3-N-dimethylbut-1-ene-2,3-diamine

C6H14N2 — CID 89045153

IUPAC3-N,3-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(N)C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6H,1,7H2,2-4H3
InChIKeyRWNJGSMDACCFMQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.41
Rot. Bonds2

About 3-N,3-N-dimethylbut-1-ene-2,3-diamine

3-N,3-N-dimethylbut-1-ene-2,3-diamine (PubChem CID 89045153) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-N,3-N-dimethylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethylbut-1-ene-2,3-diamine
PubChem CID89045153
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-N,3-N-dimethylbut-1-ene-2,3-diamine
SMILESC=C(N)C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6H,1,7H2,2-4H3
InChIKeyRWNJGSMDACCFMQ-UHFFFAOYSA-N
XLogP0.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N,3-N-dimethylbut-1-ene-2,3-diamine 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

(3S)-3-(dimethylamino)but-1-en-2-ol
CID 90069632
3-N,3-N,4-trimethylpent-1-ene-2,3-diamine
CID 156737008
2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
CID 175460965
(3R)-but-1-ene-2,3-diamine
CID 142167658
2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123414251
2-methylpropane;prop-1-en-2-amine
CID 174893746
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
3-amino-2-methylbut-3-en-1-ol
CID 143544491
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylbut-1-ene-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethylbut-1-ene-2,3-diamine (CID 89045153) is 3-N,3-N-dimethylbut-1-ene-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethylbut-1-ene-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethylbut-1-ene-2,3-diamine is C=C(N)C(C)N(C)C.
What is the InChIKey of 3-N,3-N-dimethylbut-1-ene-2,3-diamine?
The InChIKey is RWNJGSMDACCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6H,1,7H2,2-4H3.
What are the key properties of 3-N,3-N-dimethylbut-1-ene-2,3-diamine?
3-N,3-N-dimethylbut-1-ene-2,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylbut-1-ene-2,3-diamine is sourced from PubChem (CID 89045153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).