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

C5H8N2 — CID 123167679

IUPACN'-methylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C/C=N/C
InChIInChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-6H,1H3/b3-2?,6-4+,7-5+
InChIKeyOQBSWTJVFHRXEJ-RPFYLVNISA-N
MW96.13 g/mol
LogP0.89
Rot. Bonds2

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

N'-methylbut-2-ene-1,4-diimine (PubChem CID 123167679) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N'-methylbut-2-ene-1,4-diimine.

Molecular Properties

Compound NameN'-methylbut-2-ene-1,4-diimine
PubChem CID123167679
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN'-methylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C/C=N/C
InChIInChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-6H,1H3/b3-2?,6-4+,7-5+
InChIKeyOQBSWTJVFHRXEJ-RPFYLVNISA-N
XLogP0.89
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
Crotonaldehyde hydrazone
CID 10887823
Crotyl imine
CID 14143524
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
But-2-en-1-imine
CID 20770472
2-Aza-2,4,6-heptatriene
CID 59945193
Azaheptatriene
CID 86115777
(E)-5-Azahepta-2,4-diene
CID 5463161
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
CID 49866444
(E)-N-propylbut-2-en-1-imine
CID 10866289
Acetonitrile, 2-[2-butenylidene amino]
CID 5365737

Frequently Asked Questions

What is the IUPAC name of N'-methylbut-2-ene-1,4-diimine?
The IUPAC name of N'-methylbut-2-ene-1,4-diimine (CID 123167679) is N'-methylbut-2-ene-1,4-diimine.
What is the SMILES notation for N'-methylbut-2-ene-1,4-diimine?
The canonical SMILES for N'-methylbut-2-ene-1,4-diimine is [H]/N=C/C=C/C=N/C.
What is the InChIKey of N'-methylbut-2-ene-1,4-diimine?
The InChIKey is OQBSWTJVFHRXEJ-RPFYLVNISA-N. The full InChI is InChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-6H,1H3/b3-2?,6-4+,7-5+.
What are the key properties of N'-methylbut-2-ene-1,4-diimine?
N'-methylbut-2-ene-1,4-diimine has a molecular weight of 96.13 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylbut-2-ene-1,4-diimine is sourced from PubChem (CID 123167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).