hexadec-1-en-3-yl(trimethyl)azanium

C19H40N+ — CID 19848170

IUPAChexadec-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCCCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C19H40N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(7-2)20(3,4)5/h7,19H,2,6,8-18H2,1,3-5H3/q+1
InChIKeyNOESULXXMSHIEZ-UHFFFAOYSA-N
MW282.54 g/mol
LogP5.95
Rot. Bonds14

About hexadec-1-en-3-yl(trimethyl)azanium

hexadec-1-en-3-yl(trimethyl)azanium (PubChem CID 19848170) has the molecular formula C19H40N+ and a molecular weight of 282.54 g/mol. Its IUPAC name is hexadec-1-en-3-yl(trimethyl)azanium.

Molecular Properties

Compound Namehexadec-1-en-3-yl(trimethyl)azanium
PubChem CID19848170
Molecular FormulaC19H40N+
Molecular Weight282.54 g/mol
Exact Mass282.32
IUPAC Namehexadec-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCCCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C19H40N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(7-2)20(3,4)5/h7,19H,2,6,8-18H2,1,3-5H3/q+1
InChIKeyNOESULXXMSHIEZ-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadec-1-en-3-yl(trimethyl)azanium?
The IUPAC name of hexadec-1-en-3-yl(trimethyl)azanium (CID 19848170) is hexadec-1-en-3-yl(trimethyl)azanium.
What is the SMILES notation for hexadec-1-en-3-yl(trimethyl)azanium?
The canonical SMILES for hexadec-1-en-3-yl(trimethyl)azanium is C=CC(CCCCCCCCCCCCC)[N+](C)(C)C.
What is the InChIKey of hexadec-1-en-3-yl(trimethyl)azanium?
The InChIKey is NOESULXXMSHIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19(7-2)20(3,4)5/h7,19H,2,6,8-18H2,1,3-5H3/q+1.
What are the key properties of hexadec-1-en-3-yl(trimethyl)azanium?
hexadec-1-en-3-yl(trimethyl)azanium has a molecular weight of 282.54 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-en-3-yl(trimethyl)azanium is sourced from PubChem (CID 19848170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).