octadec-3-en-1-imine

C18H35N — CID 57154526

IUPACoctadec-3-en-1-imine
SMILES[H]/N=C/CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-16,18-19H,2-14,17H2,1H3/b16-15?,19-18+
InChIKeyGNIWLAPQZAJLCJ-BSSVPRKOSA-N
MW265.48 g/mol
LogP6.67
Rot. Bonds15

About octadec-3-en-1-imine

octadec-3-en-1-imine (PubChem CID 57154526) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is octadec-3-en-1-imine.

Molecular Properties

Compound Nameoctadec-3-en-1-imine
PubChem CID57154526
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameoctadec-3-en-1-imine
SMILES[H]/N=C/CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-16,18-19H,2-14,17H2,1H3/b16-15?,19-18+
InChIKeyGNIWLAPQZAJLCJ-BSSVPRKOSA-N
XLogP6.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.67
H-Bond Donors ≤ 51
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 octadec-3-en-1-imine?
The IUPAC name of octadec-3-en-1-imine (CID 57154526) is octadec-3-en-1-imine.
What is the SMILES notation for octadec-3-en-1-imine?
The canonical SMILES for octadec-3-en-1-imine is [H]/N=C/CC=CCCCCCCCCCCCCCC.
What is the InChIKey of octadec-3-en-1-imine?
The InChIKey is GNIWLAPQZAJLCJ-BSSVPRKOSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-16,18-19H,2-14,17H2,1H3/b16-15?,19-18+.
What are the key properties of octadec-3-en-1-imine?
octadec-3-en-1-imine has a molecular weight of 265.48 g/mol, XLogP of 6.67, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-3-en-1-imine is sourced from PubChem (CID 57154526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).