N-oct-7-en-4-ylmethanimine

C9H17N — CID 130450405

IUPACN-oct-7-en-4-ylmethanimine
SMILESC=CCCC(CCC)N=C
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,9H,1,3,5-8H2,2H3
InChIKeyPMLZVMUJDDCOBK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds6

About N-oct-7-en-4-ylmethanimine

N-oct-7-en-4-ylmethanimine (PubChem CID 130450405) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-oct-7-en-4-ylmethanimine.

Molecular Properties

Compound NameN-oct-7-en-4-ylmethanimine
PubChem CID130450405
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-oct-7-en-4-ylmethanimine
SMILESC=CCCC(CCC)N=C
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,9H,1,3,5-8H2,2H3
InChIKeyPMLZVMUJDDCOBK-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-oct-7-en-4-ylmethanimine?
The IUPAC name of N-oct-7-en-4-ylmethanimine (CID 130450405) is N-oct-7-en-4-ylmethanimine.
What is the SMILES notation for N-oct-7-en-4-ylmethanimine?
The canonical SMILES for N-oct-7-en-4-ylmethanimine is C=CCCC(CCC)N=C.
What is the InChIKey of N-oct-7-en-4-ylmethanimine?
The InChIKey is PMLZVMUJDDCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,9H,1,3,5-8H2,2H3.
What are the key properties of N-oct-7-en-4-ylmethanimine?
N-oct-7-en-4-ylmethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-7-en-4-ylmethanimine is sourced from PubChem (CID 130450405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).