N-octadec-9-enylpropan-1-imine

C21H41N — CID 57249664

IUPACN-octadec-9-enylpropan-1-imine
SMILESCC/C=N/CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11?,22-20+
InChIKeyYUVJNHVITATWPQ-KQOZGDJWSA-N
MW307.57 g/mol
LogP7.50
Rot. Bonds17

About N-octadec-9-enylpropan-1-imine

N-octadec-9-enylpropan-1-imine (PubChem CID 57249664) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is N-octadec-9-enylpropan-1-imine.

Molecular Properties

Compound NameN-octadec-9-enylpropan-1-imine
PubChem CID57249664
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC NameN-octadec-9-enylpropan-1-imine
SMILESCC/C=N/CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11?,22-20+
InChIKeyYUVJNHVITATWPQ-KQOZGDJWSA-N
XLogP7.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.50
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-enylpropan-1-imine?
The IUPAC name of N-octadec-9-enylpropan-1-imine (CID 57249664) is N-octadec-9-enylpropan-1-imine.
What is the SMILES notation for N-octadec-9-enylpropan-1-imine?
The canonical SMILES for N-octadec-9-enylpropan-1-imine is CC/C=N/CCCCCCCCC=CCCCCCCCC.
What is the InChIKey of N-octadec-9-enylpropan-1-imine?
The InChIKey is YUVJNHVITATWPQ-KQOZGDJWSA-N. The full InChI is InChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11?,22-20+.
What are the key properties of N-octadec-9-enylpropan-1-imine?
N-octadec-9-enylpropan-1-imine has a molecular weight of 307.57 g/mol, XLogP of 7.50, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enylpropan-1-imine is sourced from PubChem (CID 57249664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).