ethyl-methylidene-pentadecanoylazanium

C18H36NO+ — CID 123528304

IUPACethyl-methylidene-pentadecanoylazanium
SMILESC=[N+](CC)C(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C18H36NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3)5-2/h3-17H2,1-2H3/q+1
InChIKeyWTZGCJALEJGSBN-UHFFFAOYSA-N
MW282.49 g/mol
LogP5.34
Rot. Bonds14

About ethyl-methylidene-pentadecanoylazanium

ethyl-methylidene-pentadecanoylazanium (PubChem CID 123528304) has the molecular formula C18H36NO+ and a molecular weight of 282.49 g/mol. Its IUPAC name is ethyl-methylidene-pentadecanoylazanium.

Molecular Properties

Compound Nameethyl-methylidene-pentadecanoylazanium
PubChem CID123528304
Molecular FormulaC18H36NO+
Molecular Weight282.49 g/mol
Exact Mass282.28
IUPAC Nameethyl-methylidene-pentadecanoylazanium
SMILESC=[N+](CC)C(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C18H36NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3)5-2/h3-17H2,1-2H3/q+1
InChIKeyWTZGCJALEJGSBN-UHFFFAOYSA-N
XLogP5.34
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 55.34
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-nitroheptadecan-1-one
CID 140981948
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
hexadecanoyl bromide
CID 10041615
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
ethene;tridecan-7-one
CID 159715360
pentacosan-7-one
CID 54551687
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-pentadecanoylazanium?
The IUPAC name of ethyl-methylidene-pentadecanoylazanium (CID 123528304) is ethyl-methylidene-pentadecanoylazanium.
What is the SMILES notation for ethyl-methylidene-pentadecanoylazanium?
The canonical SMILES for ethyl-methylidene-pentadecanoylazanium is C=[N+](CC)C(=O)CCCCCCCCCCCCCC.
What is the InChIKey of ethyl-methylidene-pentadecanoylazanium?
The InChIKey is WTZGCJALEJGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(3)5-2/h3-17H2,1-2H3/q+1.
What are the key properties of ethyl-methylidene-pentadecanoylazanium?
ethyl-methylidene-pentadecanoylazanium has a molecular weight of 282.49 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-pentadecanoylazanium is sourced from PubChem (CID 123528304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).