azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium

C23H53NO2P+ — CID 174553158

IUPACazane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium
SMILESCC(C)(C)CCCCCC(=O)O.CCCC[P+](C)(CCCC)CCCC.N
InChIInChI=1S/C13H30P.C10H20O2.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-10(2,3)8-6-4-5-7-9(11)12;/h5-13H2,1-4H3;4-8H2,1-3H3,(H,11,12);1H3/q+1;;
InChIKeyNFLBVJACHVOCKS-UHFFFAOYSA-N
MW406.66 g/mol
LogP8.26
Rot. Bonds14

About azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium

azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium (PubChem CID 174553158) has the molecular formula C23H53NO2P+ and a molecular weight of 406.66 g/mol. Its IUPAC name is azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium.

Molecular Properties

Compound Nameazane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium
PubChem CID174553158
Molecular FormulaC23H53NO2P+
Molecular Weight406.66 g/mol
Exact Mass406.38
IUPAC Nameazane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium
SMILESCC(C)(C)CCCCCC(=O)O.CCCC[P+](C)(CCCC)CCCC.N
InChIInChI=1S/C13H30P.C10H20O2.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-10(2,3)8-6-4-5-7-9(11)12;/h5-13H2,1-4H3;4-8H2,1-3H3,(H,11,12);1H3/q+1;;
InChIKeyNFLBVJACHVOCKS-UHFFFAOYSA-N
XLogP8.26
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium 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

6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954

Frequently Asked Questions

What is the IUPAC name of azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium?
The IUPAC name of azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium (CID 174553158) is azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium.
What is the SMILES notation for azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium?
The canonical SMILES for azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium is CC(C)(C)CCCCCC(=O)O.CCCC[P+](C)(CCCC)CCCC.N.
What is the InChIKey of azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium?
The InChIKey is NFLBVJACHVOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.C10H20O2.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-10(2,3)8-6-4-5-7-9(11)12;/h5-13H2,1-4H3;4-8H2,1-3H3,(H,11,12);1H3/q+1;;.
What are the key properties of azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium?
azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium has a molecular weight of 406.66 g/mol, XLogP of 8.26, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7,7-dimethyloctanoic acid;tributyl(methyl)phosphanium is sourced from PubChem (CID 174553158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).