dimethyl-octadecyl-prop-2-ynylazanium

C23H46N+ — CID 14625652

IUPACdimethyl-octadecyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2/h2H,5,7-23H2,1,3-4H3/q+1
InChIKeyPCOBKYLTQFJZKS-UHFFFAOYSA-N
MW336.63 g/mol
LogP6.96
Rot. Bonds18

About dimethyl-octadecyl-prop-2-ynylazanium

dimethyl-octadecyl-prop-2-ynylazanium (PubChem CID 14625652) has the molecular formula C23H46N+ and a molecular weight of 336.63 g/mol. Its IUPAC name is dimethyl-octadecyl-prop-2-ynylazanium.

Molecular Properties

Compound Namedimethyl-octadecyl-prop-2-ynylazanium
PubChem CID14625652
Molecular FormulaC23H46N+
Molecular Weight336.63 g/mol
Exact Mass336.36
IUPAC Namedimethyl-octadecyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2/h2H,5,7-23H2,1,3-4H3/q+1
InChIKeyPCOBKYLTQFJZKS-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.63
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-octadecyl-prop-2-ynylazanium 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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-prop-2-ynylazanium?
The IUPAC name of dimethyl-octadecyl-prop-2-ynylazanium (CID 14625652) is dimethyl-octadecyl-prop-2-ynylazanium.
What is the SMILES notation for dimethyl-octadecyl-prop-2-ynylazanium?
The canonical SMILES for dimethyl-octadecyl-prop-2-ynylazanium is C#CC[N+](C)(C)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-octadecyl-prop-2-ynylazanium?
The InChIKey is PCOBKYLTQFJZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3,4)22-6-2/h2H,5,7-23H2,1,3-4H3/q+1.
What are the key properties of dimethyl-octadecyl-prop-2-ynylazanium?
dimethyl-octadecyl-prop-2-ynylazanium has a molecular weight of 336.63 g/mol, XLogP of 6.96, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-prop-2-ynylazanium is sourced from PubChem (CID 14625652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).