hex-1-ene-3,4-diimine

C6H10N2 — CID 123827973

IUPAChex-1-ene-3,4-diimine
SMILES[H]/N=C(C=C)/C(CC)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-5(7)6(8)4-2/h3,7-8H,1,4H2,2H3/b7-5+,8-6+
InChIKeyIOAMDQIZPFHXTG-KQQUZDAGSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds3

About hex-1-ene-3,4-diimine

hex-1-ene-3,4-diimine (PubChem CID 123827973) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is hex-1-ene-3,4-diimine.

Molecular Properties

Compound Namehex-1-ene-3,4-diimine
PubChem CID123827973
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namehex-1-ene-3,4-diimine
SMILES[H]/N=C(C=C)/C(CC)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-5(7)6(8)4-2/h3,7-8H,1,4H2,2H3/b7-5+,8-6+
InChIKeyIOAMDQIZPFHXTG-KQQUZDAGSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene-3,4-diimine?
The IUPAC name of hex-1-ene-3,4-diimine (CID 123827973) is hex-1-ene-3,4-diimine.
What is the SMILES notation for hex-1-ene-3,4-diimine?
The canonical SMILES for hex-1-ene-3,4-diimine is [H]/N=C(C=C)/C(CC)=N/[H].
What is the InChIKey of hex-1-ene-3,4-diimine?
The InChIKey is IOAMDQIZPFHXTG-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-5(7)6(8)4-2/h3,7-8H,1,4H2,2H3/b7-5+,8-6+.
What are the key properties of hex-1-ene-3,4-diimine?
hex-1-ene-3,4-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene-3,4-diimine is sourced from PubChem (CID 123827973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).