N,N'-dimethylbut-2-ene-1,4-diimine

C6H10N2 — CID 87697025

IUPACN,N'-dimethylbut-2-ene-1,4-diimine
SMILESC/N=C/C=C/C=N/C
InChIInChI=1S/C6H10N2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyUUKOWTUZKAYLRA-VXPMZICJSA-N
MW110.16 g/mol
LogP0.94
Rot. Bonds2

About N,N'-dimethylbut-2-ene-1,4-diimine

N,N'-dimethylbut-2-ene-1,4-diimine (PubChem CID 87697025) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N,N'-dimethylbut-2-ene-1,4-diimine.

Molecular Properties

Compound NameN,N'-dimethylbut-2-ene-1,4-diimine
PubChem CID87697025
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN,N'-dimethylbut-2-ene-1,4-diimine
SMILESC/N=C/C=C/C=N/C
InChIInChI=1S/C6H10N2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyUUKOWTUZKAYLRA-VXPMZICJSA-N
XLogP0.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylbut-2-ene-1,4-diimine?
The IUPAC name of N,N'-dimethylbut-2-ene-1,4-diimine (CID 87697025) is N,N'-dimethylbut-2-ene-1,4-diimine.
What is the SMILES notation for N,N'-dimethylbut-2-ene-1,4-diimine?
The canonical SMILES for N,N'-dimethylbut-2-ene-1,4-diimine is C/N=C/C=C/C=N/C.
What is the InChIKey of N,N'-dimethylbut-2-ene-1,4-diimine?
The InChIKey is UUKOWTUZKAYLRA-VXPMZICJSA-N. The full InChI is InChI=1S/C6H10N2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b4-3?,7-5+,8-6+.
What are the key properties of N,N'-dimethylbut-2-ene-1,4-diimine?
N,N'-dimethylbut-2-ene-1,4-diimine has a molecular weight of 110.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylbut-2-ene-1,4-diimine is sourced from PubChem (CID 87697025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).