4-methylhex-3-en-2-imine

C7H13N — CID 123364513

IUPAC4-methylhex-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)CC
InChIInChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h5,8H,4H2,1-3H3/b6-5?,8-7+
InChIKeyXISAFYHZPFOJQL-GCSGCOTJSA-N
MW111.19 g/mol
LogP2.38
Rot. Bonds2

About 4-methylhex-3-en-2-imine

4-methylhex-3-en-2-imine (PubChem CID 123364513) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methylhex-3-en-2-imine.

Molecular Properties

Compound Name4-methylhex-3-en-2-imine
PubChem CID123364513
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-methylhex-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)CC
InChIInChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h5,8H,4H2,1-3H3/b6-5?,8-7+
InChIKeyXISAFYHZPFOJQL-GCSGCOTJSA-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
1-Methyl-4-imino-2,5-cyclohexadiene
CID 12984282
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Methyl-2-cyclopentenimine
CID 91232431
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(E)-3-fluoropent-3-en-2-imine
CID 123367626
(E)-4-fluoropent-3-en-2-imine
CID 123517635
(Z)-5-fluorohex-3-en-2-imine
CID 123591050

Frequently Asked Questions

What is the IUPAC name of 4-methylhex-3-en-2-imine?
The IUPAC name of 4-methylhex-3-en-2-imine (CID 123364513) is 4-methylhex-3-en-2-imine.
What is the SMILES notation for 4-methylhex-3-en-2-imine?
The canonical SMILES for 4-methylhex-3-en-2-imine is [H]/N=C(\C)C=C(C)CC.
What is the InChIKey of 4-methylhex-3-en-2-imine?
The InChIKey is XISAFYHZPFOJQL-GCSGCOTJSA-N. The full InChI is InChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h5,8H,4H2,1-3H3/b6-5?,8-7+.
What are the key properties of 4-methylhex-3-en-2-imine?
4-methylhex-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 4-methylhex-3-en-2-imine is sourced from PubChem (CID 123364513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).