hex-3-ene-2,5-diimine

C6H10N2 — CID 123983707

IUPAChex-3-ene-2,5-diimine
SMILES[H]/N=C(\C)C=C/C(C)=N/[H]
InChIInChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyPANONHNDNUKTSC-VXPMZICJSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds2

About hex-3-ene-2,5-diimine

hex-3-ene-2,5-diimine (PubChem CID 123983707) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is hex-3-ene-2,5-diimine.

Molecular Properties

Compound Namehex-3-ene-2,5-diimine
PubChem CID123983707
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namehex-3-ene-2,5-diimine
SMILES[H]/N=C(\C)C=C/C(C)=N/[H]
InChIInChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3?,7-5+,8-6+
InChIKeyPANONHNDNUKTSC-VXPMZICJSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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_1', 'substructure': 'N/A'}

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Related Compounds

p-Benzoquinone diimine
CID 138208
1-Methyl-4-imino-2,5-cyclohexadiene
CID 12984282
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(E)-3-fluoropent-3-en-2-imine
CID 123367626
4-Fluorohexa-1,4-dien-3-imine
CID 123515356
(E)-4-fluoropent-3-en-2-imine
CID 123517635
(Z)-5-fluorohex-3-en-2-imine
CID 123591050
(4E)-4-fluorohexa-1,4-dien-3-imine
CID 123863187
(4Z)-2-fluorohexa-1,4-dien-3-imine
CID 123935448
3-Fluoropent-3-en-2-imine
CID 123962053
[(Z)-6,6,6-trifluoro-5-iminohex-3-en-2-ylidene]azanium
CID 163443178

Frequently Asked Questions

What is the IUPAC name of hex-3-ene-2,5-diimine?
The IUPAC name of hex-3-ene-2,5-diimine (CID 123983707) is hex-3-ene-2,5-diimine.
What is the SMILES notation for hex-3-ene-2,5-diimine?
The canonical SMILES for hex-3-ene-2,5-diimine is [H]/N=C(\C)C=C/C(C)=N/[H].
What is the InChIKey of hex-3-ene-2,5-diimine?
The InChIKey is PANONHNDNUKTSC-VXPMZICJSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3?,7-5+,8-6+.
What are the key properties of hex-3-ene-2,5-diimine?
hex-3-ene-2,5-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-ene-2,5-diimine is sourced from PubChem (CID 123983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).