(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine

C6H14N2 — CID 88898646

IUPAC(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine
SMILESCN/C=C(\N)C(C)C
InChIInChI=1S/C6H14N2/c1-5(2)6(7)4-8-3/h4-5,8H,7H2,1-3H3/b6-4-
InChIKeyMEFJHEZJPQZYRI-XQRVVYSFSA-N
MW114.19 g/mol
LogP0.66
Rot. Bonds2

About (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine

(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine (PubChem CID 88898646) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine
PubChem CID88898646
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine
SMILESCN/C=C(\N)C(C)C
InChIInChI=1S/C6H14N2/c1-5(2)6(7)4-8-3/h4-5,8H,7H2,1-3H3/b6-4-
InChIKeyMEFJHEZJPQZYRI-XQRVVYSFSA-N
XLogP0.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine (CID 88898646) is (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine is CN/C=C(\N)C(C)C.
What is the InChIKey of (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine?
The InChIKey is MEFJHEZJPQZYRI-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(2)6(7)4-8-3/h4-5,8H,7H2,1-3H3/b6-4-.
What are the key properties of (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine?
(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3-dimethylbut-1-ene-1,2-diamine is sourced from PubChem (CID 88898646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).