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

C6H14N2 — CID 58555138

IUPAC3-N,3-N-dimethylbut-2-ene-2,3-diamine
SMILESCC(N)=C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3
InChIKeyORBNQSYXDFBBKR-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.76
Rot. Bonds1

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

3-N,3-N-dimethylbut-2-ene-2,3-diamine (PubChem CID 58555138) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-N,3-N-dimethylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethylbut-2-ene-2,3-diamine
PubChem CID58555138
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-N,3-N-dimethylbut-2-ene-2,3-diamine
SMILESCC(N)=C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3
InChIKeyORBNQSYXDFBBKR-UHFFFAOYSA-N
XLogP0.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethylbut-2-ene-2,3-diamine (CID 58555138) is 3-N,3-N-dimethylbut-2-ene-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethylbut-2-ene-2,3-diamine is CC(N)=C(C)N(C)C.
What is the InChIKey of 3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The InChIKey is ORBNQSYXDFBBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3.
What are the key properties of 3-N,3-N-dimethylbut-2-ene-2,3-diamine?
3-N,3-N-dimethylbut-2-ene-2,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.76, 1 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-2-ene-2,3-diamine is sourced from PubChem (CID 58555138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).