N-octadec-9-enylcyclohexanimine

C24H45N — CID 70202677

IUPACN-octadec-9-enylcyclohexanimine
SMILESCCCCCCCCC=CCCCCCCCCN=C1CCCCC1
InChIInChI=1S/C24H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h9-10H,2-8,11-23H2,1H3
InChIKeyPNEURDKNNFCDLQ-UHFFFAOYSA-N
MW347.63 g/mol
LogP8.43
Rot. Bonds16

About N-octadec-9-enylcyclohexanimine

N-octadec-9-enylcyclohexanimine (PubChem CID 70202677) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is N-octadec-9-enylcyclohexanimine.

Molecular Properties

Compound NameN-octadec-9-enylcyclohexanimine
PubChem CID70202677
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC NameN-octadec-9-enylcyclohexanimine
SMILESCCCCCCCCC=CCCCCCCCCN=C1CCCCC1
InChIInChI=1S/C24H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h9-10H,2-8,11-23H2,1H3
InChIKeyPNEURDKNNFCDLQ-UHFFFAOYSA-N
XLogP8.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 58.43
H-Bond Donors ≤ 50
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 N-octadec-9-enylcyclohexanimine?
The IUPAC name of N-octadec-9-enylcyclohexanimine (CID 70202677) is N-octadec-9-enylcyclohexanimine.
What is the SMILES notation for N-octadec-9-enylcyclohexanimine?
The canonical SMILES for N-octadec-9-enylcyclohexanimine is CCCCCCCCC=CCCCCCCCCN=C1CCCCC1.
What is the InChIKey of N-octadec-9-enylcyclohexanimine?
The InChIKey is PNEURDKNNFCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h9-10H,2-8,11-23H2,1H3.
What are the key properties of N-octadec-9-enylcyclohexanimine?
N-octadec-9-enylcyclohexanimine has a molecular weight of 347.63 g/mol, XLogP of 8.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enylcyclohexanimine is sourced from PubChem (CID 70202677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).