(E)-5-methylhept-4-en-3-imine

C8H15N — CID 123846053

IUPAC(E)-5-methylhept-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)CC)CC
InChIInChI=1S/C8H15N/c1-4-7(3)6-8(9)5-2/h6,9H,4-5H2,1-3H3/b7-6+,9-8+
InChIKeyOZVMEOZLCZBHTE-BLHCBFLLSA-N
MW125.21 g/mol
LogP2.77
Rot. Bonds3

About (E)-5-methylhept-4-en-3-imine

(E)-5-methylhept-4-en-3-imine (PubChem CID 123846053) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-5-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-methylhept-4-en-3-imine
PubChem CID123846053
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-5-methylhept-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)CC)CC
InChIInChI=1S/C8H15N/c1-4-7(3)6-8(9)5-2/h6,9H,4-5H2,1-3H3/b7-6+,9-8+
InChIKeyOZVMEOZLCZBHTE-BLHCBFLLSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.77
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

(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
CID 171524708
(Z)-4-methylhex-3-en-2-one
CID 12930146
2-(1-bromoethylimino)-3-imino-5-methylhept-4-enoic acid
CID 90753191
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(E)-3-methylpent-2-enoic acid
CID 5473433
6-iminoocta-2,4-dienal
CID 142648191
2-iminopent-3-ene-1,4-diamine
CID 147865481
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
3,5-dimethylocta-3,5-diene
CID 54471932
heptane-3,5-diimine
CID 142023911
CID 177319664
CID 177319664

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylhept-4-en-3-imine?
The IUPAC name of (E)-5-methylhept-4-en-3-imine (CID 123846053) is (E)-5-methylhept-4-en-3-imine.
What is the SMILES notation for (E)-5-methylhept-4-en-3-imine?
The canonical SMILES for (E)-5-methylhept-4-en-3-imine is [H]/N=C(/C=C(\C)CC)CC.
What is the InChIKey of (E)-5-methylhept-4-en-3-imine?
The InChIKey is OZVMEOZLCZBHTE-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7(3)6-8(9)5-2/h6,9H,4-5H2,1-3H3/b7-6+,9-8+.
What are the key properties of (E)-5-methylhept-4-en-3-imine?
(E)-5-methylhept-4-en-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylhept-4-en-3-imine is sourced from PubChem (CID 123846053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).