3-ethylpent-3-en-2-imine

C7H13N — CID 123394073

IUPAC3-ethylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(=CC)CC
InChIInChI=1S/C7H13N/c1-4-7(5-2)6(3)8/h4,8H,5H2,1-3H3/b7-4?,8-6+
InChIKeyOSYLGESRTDCNPZ-QXRCYAEXSA-N
MW111.19 g/mol
LogP2.38
Rot. Bonds2

About 3-ethylpent-3-en-2-imine

3-ethylpent-3-en-2-imine (PubChem CID 123394073) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethylpent-3-en-2-imine.

Molecular Properties

Compound Name3-ethylpent-3-en-2-imine
PubChem CID123394073
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(=CC)CC
InChIInChI=1S/C7H13N/c1-4-7(5-2)6(3)8/h4,8H,5H2,1-3H3/b7-4?,8-6+
InChIKeyOSYLGESRTDCNPZ-QXRCYAEXSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
Toluquinone diimine
CID 57641797
3-Methyl-2-cyclopentenimine
CID 91232431
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
2-Fluoro-5-methylhexa-1,4-dien-3-imine
CID 123879479
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928
(E)-4-(difluoromethyl)hex-4-en-3-imine
CID 145086064
1-Fluoro-4-methylpent-3-en-2-imine
CID 169975130
Ethylcyclopentenimine
CID 149143293
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-3-en-2-imine?
The IUPAC name of 3-ethylpent-3-en-2-imine (CID 123394073) is 3-ethylpent-3-en-2-imine.
What is the SMILES notation for 3-ethylpent-3-en-2-imine?
The canonical SMILES for 3-ethylpent-3-en-2-imine is [H]/N=C(\C)C(=CC)CC.
What is the InChIKey of 3-ethylpent-3-en-2-imine?
The InChIKey is OSYLGESRTDCNPZ-QXRCYAEXSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-2)6(3)8/h4,8H,5H2,1-3H3/b7-4?,8-6+.
What are the key properties of 3-ethylpent-3-en-2-imine?
3-ethylpent-3-en-2-imine has a molecular weight of 111.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-3-en-2-imine is sourced from PubChem (CID 123394073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).