(E)-N,N'-dimethylbut-2-ene-1,4-diamine

C6H14N2 — CID 5364149

IUPAC(E)-N,N'-dimethylbut-2-ene-1,4-diamine
SMILESCNC/C=C/CNC
InChIInChI=1S/C6H14N2/c1-7-5-3-4-6-8-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyQXDVFQAKOKIPCM-ONEGZZNKSA-N
MW114.19 g/mol
LogP-0.02
Rot. Bonds4

About (E)-N,N'-dimethylbut-2-ene-1,4-diamine

(E)-N,N'-dimethylbut-2-ene-1,4-diamine (PubChem CID 5364149) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-N,N'-dimethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-dimethylbut-2-ene-1,4-diamine
PubChem CID5364149
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-N,N'-dimethylbut-2-ene-1,4-diamine
SMILESCNC/C=C/CNC
InChIInChI=1S/C6H14N2/c1-7-5-3-4-6-8-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyQXDVFQAKOKIPCM-ONEGZZNKSA-N
XLogP-0.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dimethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-dimethylbut-2-ene-1,4-diamine (CID 5364149) is (E)-N,N'-dimethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-dimethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-dimethylbut-2-ene-1,4-diamine is CNC/C=C/CNC.
What is the InChIKey of (E)-N,N'-dimethylbut-2-ene-1,4-diamine?
The InChIKey is QXDVFQAKOKIPCM-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H14N2/c1-7-5-3-4-6-8-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-N,N'-dimethylbut-2-ene-1,4-diamine?
(E)-N,N'-dimethylbut-2-ene-1,4-diamine has a molecular weight of 114.19 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dimethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 5364149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).