azane;2,2,3,3,4-pentaethylhexanoic acid

C16H35NO2 — CID 174541708

IUPACazane;2,2,3,3,4-pentaethylhexanoic acid
SMILESCCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O.N
InChIInChI=1S/C16H32O2.H3N/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18;/h13H,7-12H2,1-6H3,(H,17,18);1H3
InChIKeyUSRVZFRLSXLPOX-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.28
Rot. Bonds9

About azane;2,2,3,3,4-pentaethylhexanoic acid

azane;2,2,3,3,4-pentaethylhexanoic acid (PubChem CID 174541708) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is azane;2,2,3,3,4-pentaethylhexanoic acid.

Molecular Properties

Compound Nameazane;2,2,3,3,4-pentaethylhexanoic acid
PubChem CID174541708
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameazane;2,2,3,3,4-pentaethylhexanoic acid
SMILESCCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O.N
InChIInChI=1S/C16H32O2.H3N/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18;/h13H,7-12H2,1-6H3,(H,17,18);1H3
InChIKeyUSRVZFRLSXLPOX-UHFFFAOYSA-N
XLogP5.28
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4-pentaethylhexanoic acid
CID 141157055
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
azane;2,3,3-tributyl-2,4-diethyloctanoic acid
CID 174659015
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
3-bromo-2,2-diethylpentane-1,1,1-tricarboxylic acid
CID 22439476
azane;2,2-diethylbutanoic acid
CID 173369262
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825
2-tert-butyl-2,5-diethylhexanedioic acid
CID 174961257

Frequently Asked Questions

What is the IUPAC name of azane;2,2,3,3,4-pentaethylhexanoic acid?
The IUPAC name of azane;2,2,3,3,4-pentaethylhexanoic acid (CID 174541708) is azane;2,2,3,3,4-pentaethylhexanoic acid.
What is the SMILES notation for azane;2,2,3,3,4-pentaethylhexanoic acid?
The canonical SMILES for azane;2,2,3,3,4-pentaethylhexanoic acid is CCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O.N.
What is the InChIKey of azane;2,2,3,3,4-pentaethylhexanoic acid?
The InChIKey is USRVZFRLSXLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.H3N/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18;/h13H,7-12H2,1-6H3,(H,17,18);1H3.
What are the key properties of azane;2,2,3,3,4-pentaethylhexanoic acid?
azane;2,2,3,3,4-pentaethylhexanoic acid has a molecular weight of 273.46 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,3,3,4-pentaethylhexanoic acid is sourced from PubChem (CID 174541708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).