2-dodecoxytetradecyl(trimethyl)azanium

C29H62NO+ — CID 175487629

IUPAC2-dodecoxytetradecyl(trimethyl)azanium
SMILESCCCCCCCCCCCCOC(CCCCCCCCCCCC)C[N+](C)(C)C
InChIInChI=1S/C29H62NO/c1-6-8-10-12-14-16-18-20-22-24-26-29(28-30(3,4)5)31-27-25-23-21-19-17-15-13-11-9-7-2/h29H,6-28H2,1-5H3/q+1
InChIKeyMSLHNLGVUQMWNI-UHFFFAOYSA-N
MW440.82 g/mol
LogP9.31
Rot. Bonds25

About 2-dodecoxytetradecyl(trimethyl)azanium

2-dodecoxytetradecyl(trimethyl)azanium (PubChem CID 175487629) has the molecular formula C29H62NO+ and a molecular weight of 440.82 g/mol. Its IUPAC name is 2-dodecoxytetradecyl(trimethyl)azanium.

Molecular Properties

Compound Name2-dodecoxytetradecyl(trimethyl)azanium
PubChem CID175487629
Molecular FormulaC29H62NO+
Molecular Weight440.82 g/mol
Exact Mass440.48
IUPAC Name2-dodecoxytetradecyl(trimethyl)azanium
SMILESCCCCCCCCCCCCOC(CCCCCCCCCCCC)C[N+](C)(C)C
InChIInChI=1S/C29H62NO/c1-6-8-10-12-14-16-18-20-22-24-26-29(28-30(3,4)5)31-27-25-23-21-19-17-15-13-11-9-7-2/h29H,6-28H2,1-5H3/q+1
InChIKeyMSLHNLGVUQMWNI-UHFFFAOYSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-dodecoxytetradecyl(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

Related Compounds

6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
(4-carboxy-2-tetradecoxybutyl)-trimethylazanium
CID 11349254
[(2S,3R)-2,3-didodecoxy-4-(trimethylazaniumyl)butyl]-trimethylazanium
CID 100928868
(3-carboxy-2-tridecoxypropyl)-trimethylazanium
CID 22407177
trimethyl-[2-[(E)-octadec-9-enoxy]-3-[(Z)-octadec-9-enoxy]propyl]azanium
CID 10122548
9,10-didecoxydecyl(trimethyl)azanium chloride
CID 22463699
2-tetradecoxydecan-1-ol
CID 155667265
(2-butoxy-3-fluoropropyl)-trimethylazanium
CID 87169985
1-(2-dodecoxydecoxy)dodecane
CID 175347971
3,7-didodecoxydodecane
CID 123502949
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxytetradecyl(trimethyl)azanium?
The IUPAC name of 2-dodecoxytetradecyl(trimethyl)azanium (CID 175487629) is 2-dodecoxytetradecyl(trimethyl)azanium.
What is the SMILES notation for 2-dodecoxytetradecyl(trimethyl)azanium?
The canonical SMILES for 2-dodecoxytetradecyl(trimethyl)azanium is CCCCCCCCCCCCOC(CCCCCCCCCCCC)C[N+](C)(C)C.
What is the InChIKey of 2-dodecoxytetradecyl(trimethyl)azanium?
The InChIKey is MSLHNLGVUQMWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62NO/c1-6-8-10-12-14-16-18-20-22-24-26-29(28-30(3,4)5)31-27-25-23-21-19-17-15-13-11-9-7-2/h29H,6-28H2,1-5H3/q+1.
What are the key properties of 2-dodecoxytetradecyl(trimethyl)azanium?
2-dodecoxytetradecyl(trimethyl)azanium has a molecular weight of 440.82 g/mol, XLogP of 9.31, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxytetradecyl(trimethyl)azanium is sourced from PubChem (CID 175487629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).