N-dec-1-enyldecan-1-imine

C20H39N — CID 54403871

IUPACN-dec-1-enyldecan-1-imine
SMILESCCCCCCCCC=C/N=C/CCCCCCCCC
InChIInChI=1S/C20H39N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19-20H,3-16,18H2,1-2H3/b19-17?,21-20+
InChIKeyVPHPROWSQDFYAR-FTRZRGPSSA-N
MW293.54 g/mol
LogP7.46
Rot. Bonds16

About N-dec-1-enyldecan-1-imine

N-dec-1-enyldecan-1-imine (PubChem CID 54403871) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-dec-1-enyldecan-1-imine.

Molecular Properties

Compound NameN-dec-1-enyldecan-1-imine
PubChem CID54403871
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-dec-1-enyldecan-1-imine
SMILESCCCCCCCCC=C/N=C/CCCCCCCCC
InChIInChI=1S/C20H39N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19-20H,3-16,18H2,1-2H3/b19-17?,21-20+
InChIKeyVPHPROWSQDFYAR-FTRZRGPSSA-N
XLogP7.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 57.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N-dec-1-enyldecan-1-imine?
The IUPAC name of N-dec-1-enyldecan-1-imine (CID 54403871) is N-dec-1-enyldecan-1-imine.
What is the SMILES notation for N-dec-1-enyldecan-1-imine?
The canonical SMILES for N-dec-1-enyldecan-1-imine is CCCCCCCCC=C/N=C/CCCCCCCCC.
What is the InChIKey of N-dec-1-enyldecan-1-imine?
The InChIKey is VPHPROWSQDFYAR-FTRZRGPSSA-N. The full InChI is InChI=1S/C20H39N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19-20H,3-16,18H2,1-2H3/b19-17?,21-20+.
What are the key properties of N-dec-1-enyldecan-1-imine?
N-dec-1-enyldecan-1-imine has a molecular weight of 293.54 g/mol, XLogP of 7.46, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-1-enyldecan-1-imine is sourced from PubChem (CID 54403871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).