(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine

C6H14N2 — CID 22971834

IUPAC(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine
SMILESC/C(N)=C(/C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3/b6-5+
InChIKeyORBNQSYXDFBBKR-AATRIKPKSA-N
MW114.19 g/mol
LogP0.76
Rot. Bonds1

About (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine

(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine (PubChem CID 22971834) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine
PubChem CID22971834
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine
SMILESC/C(N)=C(/C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3/b6-5+
InChIKeyORBNQSYXDFBBKR-AATRIKPKSA-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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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
3-(Dimethylamino)but-2-en-2-ylazanide
CID 58555137
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 (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The IUPAC name of (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine (CID 22971834) is (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine.
What is the SMILES notation for (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The canonical SMILES for (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine is C/C(N)=C(/C)N(C)C.
What is the InChIKey of (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine?
The InChIKey is ORBNQSYXDFBBKR-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h7H2,1-4H3/b6-5+.
What are the key properties of (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine?
(E)-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 (E)-3-N,3-N-dimethylbut-2-ene-2,3-diamine is sourced from PubChem (CID 22971834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).