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

C23H48N+ — CID 19848229

IUPACicos-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCCCCCCCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C23H48N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(7-2)24(3,4)5/h7,23H,2,6,8-22H2,1,3-5H3/q+1
InChIKeyHDOSHFIEVMQPRV-UHFFFAOYSA-N
MW338.64 g/mol
LogP7.51
Rot. Bonds18

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

icos-1-en-3-yl(trimethyl)azanium (PubChem CID 19848229) has the molecular formula C23H48N+ and a molecular weight of 338.64 g/mol. Its IUPAC name is icos-1-en-3-yl(trimethyl)azanium.

Molecular Properties

Compound Nameicos-1-en-3-yl(trimethyl)azanium
PubChem CID19848229
Molecular FormulaC23H48N+
Molecular Weight338.64 g/mol
Exact Mass338.38
IUPAC Nameicos-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCCCCCCCCCCCCCCCC)[N+](C)(C)C
InChIInChI=1S/C23H48N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(7-2)24(3,4)5/h7,23H,2,6,8-22H2,1,3-5H3/q+1
InChIKeyHDOSHFIEVMQPRV-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.64
LogP ≤ 57.51
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'}

Analyze icos-1-en-3-yl(trimethyl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of icos-1-en-3-yl(trimethyl)azanium?
The IUPAC name of icos-1-en-3-yl(trimethyl)azanium (CID 19848229) is icos-1-en-3-yl(trimethyl)azanium.
What is the SMILES notation for icos-1-en-3-yl(trimethyl)azanium?
The canonical SMILES for icos-1-en-3-yl(trimethyl)azanium is C=CC(CCCCCCCCCCCCCCCCC)[N+](C)(C)C.
What is the InChIKey of icos-1-en-3-yl(trimethyl)azanium?
The InChIKey is HDOSHFIEVMQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(7-2)24(3,4)5/h7,23H,2,6,8-22H2,1,3-5H3/q+1.
What are the key properties of icos-1-en-3-yl(trimethyl)azanium?
icos-1-en-3-yl(trimethyl)azanium has a molecular weight of 338.64 g/mol, XLogP of 7.51, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icos-1-en-3-yl(trimethyl)azanium is sourced from PubChem (CID 19848229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).