N-[(Z)-oct-6-en-4-yl]methanimine

C9H17N — CID 163621517

IUPACN-[(Z)-oct-6-en-4-yl]methanimine
SMILESC=NC(C/C=C\C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyHOMZLAQVEZZTTF-XQRVVYSFSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds5

About N-[(Z)-oct-6-en-4-yl]methanimine

N-[(Z)-oct-6-en-4-yl]methanimine (PubChem CID 163621517) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-oct-6-en-4-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-oct-6-en-4-yl]methanimine
PubChem CID163621517
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-oct-6-en-4-yl]methanimine
SMILESC=NC(C/C=C\C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyHOMZLAQVEZZTTF-XQRVVYSFSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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-[(Z)-oct-6-en-4-yl]methanimine?
The IUPAC name of N-[(Z)-oct-6-en-4-yl]methanimine (CID 163621517) is N-[(Z)-oct-6-en-4-yl]methanimine.
What is the SMILES notation for N-[(Z)-oct-6-en-4-yl]methanimine?
The canonical SMILES for N-[(Z)-oct-6-en-4-yl]methanimine is C=NC(C/C=C\C)CCC.
What is the InChIKey of N-[(Z)-oct-6-en-4-yl]methanimine?
The InChIKey is HOMZLAQVEZZTTF-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of N-[(Z)-oct-6-en-4-yl]methanimine?
N-[(Z)-oct-6-en-4-yl]methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-oct-6-en-4-yl]methanimine is sourced from PubChem (CID 163621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).