2-N-methyl-1-N-propylbut-3-ene-1,2-diimine

C8H14N2 — CID 123553502

IUPAC2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
SMILESC=CC(/C=N/CCC)=N\C
InChIInChI=1S/C8H14N2/c1-4-6-10-7-8(5-2)9-3/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+
InChIKeyOLZFWZJLGIIESS-DGLUDJRXSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds4

About 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine

2-N-methyl-1-N-propylbut-3-ene-1,2-diimine (PubChem CID 123553502) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine.

Molecular Properties

Compound Name2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
PubChem CID123553502
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
SMILESC=CC(/C=N/CCC)=N\C
InChIInChI=1S/C8H14N2/c1-4-6-10-7-8(5-2)9-3/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+
InChIKeyOLZFWZJLGIIESS-DGLUDJRXSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-methyl-3-pentenylidenimine
CID 123242629
N-propyl-3H-pyridin-4-imine
CID 20520388
2-Ethenyl-2,4-dimethylimidazole
CID 21649596
N-but-3-enylbutan-1-imine
CID 89211751
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
1-N-ethenyl-3-methyl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 117758407
(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
CID 118403896
N-(2-methyliminoethyl)but-3-en-2-imine
CID 118457270
N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine
CID 123171600
1-N-methylpent-4-ene-1,3-diimine
CID 123174585
1-N,2-N-dimethylpent-3-ene-1,2-diimine
CID 123282638
N-propylbut-3-en-2-imine
CID 123402465

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine?
The IUPAC name of 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine (CID 123553502) is 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine.
What is the SMILES notation for 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine?
The canonical SMILES for 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine is C=CC(/C=N/CCC)=N\C.
What is the InChIKey of 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine?
The InChIKey is OLZFWZJLGIIESS-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-10-7-8(5-2)9-3/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+.
What are the key properties of 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine?
2-N-methyl-1-N-propylbut-3-ene-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-propylbut-3-ene-1,2-diimine is sourced from PubChem (CID 123553502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).