1-N-methylpent-4-ene-1,3-diimine

C6H10N2 — CID 123174585

IUPAC1-N-methylpent-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C)C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3,5,7H,1,4H2,2H3/b7-6+,8-5+
InChIKeyHFKKZTWHOIDXBQ-ZCOYIIAOSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds3

About 1-N-methylpent-4-ene-1,3-diimine

1-N-methylpent-4-ene-1,3-diimine (PubChem CID 123174585) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-N-methylpent-4-ene-1,3-diimine.

Molecular Properties

Compound Name1-N-methylpent-4-ene-1,3-diimine
PubChem CID123174585
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-N-methylpent-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C)C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3,5,7H,1,4H2,2H3/b7-6+,8-5+
InChIKeyHFKKZTWHOIDXBQ-ZCOYIIAOSA-N
XLogP1.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
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

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
N-methyl-methyl-3-pentenylidenimine
CID 123242629
N-methyl-3H-pyridin-4-imine
CID 20520378
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157
3,4-Dihydroazepin-5-imine
CID 90917773
2-(2,3-Dihydropyridin-6-yl)ethanimine
CID 90964112
(Z)-1-N-methylpent-2-ene-1,4-diimine
CID 118133026

Frequently Asked Questions

What is the IUPAC name of 1-N-methylpent-4-ene-1,3-diimine?
The IUPAC name of 1-N-methylpent-4-ene-1,3-diimine (CID 123174585) is 1-N-methylpent-4-ene-1,3-diimine.
What is the SMILES notation for 1-N-methylpent-4-ene-1,3-diimine?
The canonical SMILES for 1-N-methylpent-4-ene-1,3-diimine is [H]/N=C(\C=C)C/C=N/C.
What is the InChIKey of 1-N-methylpent-4-ene-1,3-diimine?
The InChIKey is HFKKZTWHOIDXBQ-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3,5,7H,1,4H2,2H3/b7-6+,8-5+.
What are the key properties of 1-N-methylpent-4-ene-1,3-diimine?
1-N-methylpent-4-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylpent-4-ene-1,3-diimine is sourced from PubChem (CID 123174585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).