pent-1-ene-1,5-diimine

C5H8N2 — CID 139916501

IUPACpent-1-ene-1,5-diimine
SMILES[H]/N=C/CCC=C=N
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5-7/h2,5-7H,1,3H2/b7-5+
InChIKeyQKMFIWVMUXSTNF-FNORWQNLSA-N
MW96.13 g/mol
LogP1.22
Rot. Bonds3

About pent-1-ene-1,5-diimine

pent-1-ene-1,5-diimine (PubChem CID 139916501) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is pent-1-ene-1,5-diimine.

Molecular Properties

Compound Namepent-1-ene-1,5-diimine
PubChem CID139916501
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Namepent-1-ene-1,5-diimine
SMILES[H]/N=C/CCC=C=N
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5-7/h2,5-7H,1,3H2/b7-5+
InChIKeyQKMFIWVMUXSTNF-FNORWQNLSA-N
XLogP1.22
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pent-4-en-1-imine
CID 12815218
3,4-Dihydropyridin-6-amine
CID 22751226
Pent-4-ene-1,3-diimine
CID 123891482
Hex-1-ene-1,6-diimine
CID 140328279
But-1-ene-1,4-diimine
CID 140458931
Hepta-3,4-dien-1-imine
CID 153083783
4,4-dideuterio-3H-pyridin-6-amine
CID 172816357
5-Iminopenta-1,2-dien-1-amine
CID 176529133
Penta-3,4-dien-1-imine
CID 85821964
CID 100933062
CID 100933062
Pent-4-enylideneazanium
CID 101548138
(Z)-5-iminopent-1-en-1-amine
CID 144903223

Frequently Asked Questions

What is the IUPAC name of pent-1-ene-1,5-diimine?
The IUPAC name of pent-1-ene-1,5-diimine (CID 139916501) is pent-1-ene-1,5-diimine.
What is the SMILES notation for pent-1-ene-1,5-diimine?
The canonical SMILES for pent-1-ene-1,5-diimine is [H]/N=C/CCC=C=N.
What is the InChIKey of pent-1-ene-1,5-diimine?
The InChIKey is QKMFIWVMUXSTNF-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h2,5-7H,1,3H2/b7-5+.
What are the key properties of pent-1-ene-1,5-diimine?
pent-1-ene-1,5-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene-1,5-diimine is sourced from PubChem (CID 139916501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).