oct-7-en-1-imine

C8H15N — CID 57169231

IUPACoct-7-en-1-imine
SMILES[H]/N=C/CCCCCC=C
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,8-9H,1,3-7H2/b9-8+
InChIKeyURJJPMPTQVSDOI-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.77
Rot. Bonds6

About oct-7-en-1-imine

oct-7-en-1-imine (PubChem CID 57169231) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is oct-7-en-1-imine.

Molecular Properties

Compound Nameoct-7-en-1-imine
PubChem CID57169231
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameoct-7-en-1-imine
SMILES[H]/N=C/CCCCCC=C
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,8-9H,1,3-7H2/b9-8+
InChIKeyURJJPMPTQVSDOI-CMDGGOBGSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oct-7-en-1-imine?
The IUPAC name of oct-7-en-1-imine (CID 57169231) is oct-7-en-1-imine.
What is the SMILES notation for oct-7-en-1-imine?
The canonical SMILES for oct-7-en-1-imine is [H]/N=C/CCCCCC=C.
What is the InChIKey of oct-7-en-1-imine?
The InChIKey is URJJPMPTQVSDOI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,8-9H,1,3-7H2/b9-8+.
What are the key properties of oct-7-en-1-imine?
oct-7-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-1-imine is sourced from PubChem (CID 57169231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).