N-[(E)-heptadec-2-en-2-yl]ethanimine

C19H37N — CID 123561688

IUPACN-[(E)-heptadec-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C/CCCCCCCCCCCCCC
InChIInChI=1S/C19H37N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20-5-2/h5,18H,4,6-17H2,1-3H3/b19-18+,20-5+
InChIKeyRZHJSRJYBGVBGR-OBIDEHGUSA-N
MW279.51 g/mol
LogP7.07
Rot. Bonds14

About N-[(E)-heptadec-2-en-2-yl]ethanimine

N-[(E)-heptadec-2-en-2-yl]ethanimine (PubChem CID 123561688) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(E)-heptadec-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-heptadec-2-en-2-yl]ethanimine
PubChem CID123561688
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(E)-heptadec-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C/CCCCCCCCCCCCCC
InChIInChI=1S/C19H37N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20-5-2/h5,18H,4,6-17H2,1-3H3/b19-18+,20-5+
InChIKeyRZHJSRJYBGVBGR-OBIDEHGUSA-N
XLogP7.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 57.07
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-[(E)-heptadec-2-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-heptadec-2-en-2-yl]ethanimine (CID 123561688) is N-[(E)-heptadec-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-heptadec-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-heptadec-2-en-2-yl]ethanimine is C/C=N/C(C)=C/CCCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-heptadec-2-en-2-yl]ethanimine?
The InChIKey is RZHJSRJYBGVBGR-OBIDEHGUSA-N. The full InChI is InChI=1S/C19H37N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)20-5-2/h5,18H,4,6-17H2,1-3H3/b19-18+,20-5+.
What are the key properties of N-[(E)-heptadec-2-en-2-yl]ethanimine?
N-[(E)-heptadec-2-en-2-yl]ethanimine has a molecular weight of 279.51 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptadec-2-en-2-yl]ethanimine is sourced from PubChem (CID 123561688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).