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

C6H14N2 — CID 90453241

IUPAC(E)-1-N,2-dimethylbut-1-ene-1,3-diamine
SMILESCN/C=C(\C)C(C)N
InChIInChI=1S/C6H14N2/c1-5(4-8-3)6(2)7/h4,6,8H,7H2,1-3H3/b5-4+
InChIKeyKGEMOTPLBDBBKX-SNAWJCMRSA-N
MW114.19 g/mol
LogP0.46
Rot. Bonds2

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

(E)-1-N,2-dimethylbut-1-ene-1,3-diamine (PubChem CID 90453241) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-1-N,2-dimethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-N,2-dimethylbut-1-ene-1,3-diamine
PubChem CID90453241
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-1-N,2-dimethylbut-1-ene-1,3-diamine
SMILESCN/C=C(\C)C(C)N
InChIInChI=1S/C6H14N2/c1-5(4-8-3)6(2)7/h4,6,8H,7H2,1-3H3/b5-4+
InChIKeyKGEMOTPLBDBBKX-SNAWJCMRSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,2-dimethylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-1-N,2-dimethylbut-1-ene-1,3-diamine (CID 90453241) is (E)-1-N,2-dimethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-1-N,2-dimethylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-1-N,2-dimethylbut-1-ene-1,3-diamine is CN/C=C(\C)C(C)N.
What is the InChIKey of (E)-1-N,2-dimethylbut-1-ene-1,3-diamine?
The InChIKey is KGEMOTPLBDBBKX-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(4-8-3)6(2)7/h4,6,8H,7H2,1-3H3/b5-4+.
What are the key properties of (E)-1-N,2-dimethylbut-1-ene-1,3-diamine?
(E)-1-N,2-dimethylbut-1-ene-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,2-dimethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 90453241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).