N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine

C18H32N2 — CID 138487079

IUPACN'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine
SMILESC=C/N=C/CCCCC/N=C/C1CCCCCCCC1
InChIInChI=1S/C18H32N2/c1-2-19-15-11-7-8-12-16-20-17-18-13-9-5-3-4-6-10-14-18/h2,15,17-18H,1,3-14,16H2/b19-15+,20-17+
InChIKeyMOVFZEVERHXQFX-CDEIUTJLSA-N
MW276.47 g/mol
LogP5.58
Rot. Bonds8

About N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine

N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine (PubChem CID 138487079) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine.

Molecular Properties

Compound NameN'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine
PubChem CID138487079
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine
SMILESC=C/N=C/CCCCC/N=C/C1CCCCCCCC1
InChIInChI=1S/C18H32N2/c1-2-19-15-11-7-8-12-16-20-17-18-13-9-5-3-4-6-10-14-18/h2,15,17-18H,1,3-14,16H2/b19-15+,20-17+
InChIKeyMOVFZEVERHXQFX-CDEIUTJLSA-N
XLogP5.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine?
The IUPAC name of N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine (CID 138487079) is N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine.
What is the SMILES notation for N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine?
The canonical SMILES for N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine is C=C/N=C/CCCCC/N=C/C1CCCCCCCC1.
What is the InChIKey of N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine?
The InChIKey is MOVFZEVERHXQFX-CDEIUTJLSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-19-15-11-7-8-12-16-20-17-18-13-9-5-3-4-6-10-14-18/h2,15,17-18H,1,3-14,16H2/b19-15+,20-17+.
What are the key properties of N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine?
N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine has a molecular weight of 276.47 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclononylmethylidene)-N-ethenylhexane-1,6-diimine is sourced from PubChem (CID 138487079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).