ethyl-dihydroxy-pentadec-2-enylazanium

C17H36NO2+ — CID 174984172

IUPACethyl-dihydroxy-pentadec-2-enylazanium
SMILESCCCCCCCCCCCCC=CC[N+](O)(O)CC
InChIInChI=1S/C17H36NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)4-2/h15-16,19-20H,3-14,17H2,1-2H3/q+1
InChIKeyXOHIMQFWKIRROS-UHFFFAOYSA-N
MW286.48 g/mol
LogP5.47
Rot. Bonds14

About ethyl-dihydroxy-pentadec-2-enylazanium

ethyl-dihydroxy-pentadec-2-enylazanium (PubChem CID 174984172) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is ethyl-dihydroxy-pentadec-2-enylazanium.

Molecular Properties

Compound Nameethyl-dihydroxy-pentadec-2-enylazanium
PubChem CID174984172
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Nameethyl-dihydroxy-pentadec-2-enylazanium
SMILESCCCCCCCCCCCCC=CC[N+](O)(O)CC
InChIInChI=1S/C17H36NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)4-2/h15-16,19-20H,3-14,17H2,1-2H3/q+1
InChIKeyXOHIMQFWKIRROS-UHFFFAOYSA-N
XLogP5.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.48
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl-dihydroxy-pentadec-2-enylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-dihydroxy-pentadec-2-enylazanium bromide
CID 174984171
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of ethyl-dihydroxy-pentadec-2-enylazanium?
The IUPAC name of ethyl-dihydroxy-pentadec-2-enylazanium (CID 174984172) is ethyl-dihydroxy-pentadec-2-enylazanium.
What is the SMILES notation for ethyl-dihydroxy-pentadec-2-enylazanium?
The canonical SMILES for ethyl-dihydroxy-pentadec-2-enylazanium is CCCCCCCCCCCCC=CC[N+](O)(O)CC.
What is the InChIKey of ethyl-dihydroxy-pentadec-2-enylazanium?
The InChIKey is XOHIMQFWKIRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19,20)4-2/h15-16,19-20H,3-14,17H2,1-2H3/q+1.
What are the key properties of ethyl-dihydroxy-pentadec-2-enylazanium?
ethyl-dihydroxy-pentadec-2-enylazanium has a molecular weight of 286.48 g/mol, XLogP of 5.47, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dihydroxy-pentadec-2-enylazanium is sourced from PubChem (CID 174984172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).