azane;2,3,3-tributyl-2,4-diethyloctanoic acid

C24H51NO2 — CID 174659015

IUPACazane;2,3,3-tributyl-2,4-diethyloctanoic acid
SMILESCCCCC(CC)C(CCCC)(CCCC)C(CC)(CCCC)C(=O)O.N
InChIInChI=1S/C24H48O2.H3N/c1-7-13-17-21(11-5)24(19-15-9-3,20-16-10-4)23(12-6,22(25)26)18-14-8-2;/h21H,7-20H2,1-6H3,(H,25,26);1H3
InChIKeyYGFZCQCAUKWARP-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.40
Rot. Bonds17

About azane;2,3,3-tributyl-2,4-diethyloctanoic acid

azane;2,3,3-tributyl-2,4-diethyloctanoic acid (PubChem CID 174659015) has the molecular formula C24H51NO2 and a molecular weight of 385.68 g/mol. Its IUPAC name is azane;2,3,3-tributyl-2,4-diethyloctanoic acid.

Molecular Properties

Compound Nameazane;2,3,3-tributyl-2,4-diethyloctanoic acid
PubChem CID174659015
Molecular FormulaC24H51NO2
Molecular Weight385.68 g/mol
Exact Mass385.39
IUPAC Nameazane;2,3,3-tributyl-2,4-diethyloctanoic acid
SMILESCCCCC(CC)C(CCCC)(CCCC)C(CC)(CCCC)C(=O)O.N
InChIInChI=1S/C24H48O2.H3N/c1-7-13-17-21(11-5)24(19-15-9-3,20-16-10-4)23(12-6,22(25)26)18-14-8-2;/h21H,7-20H2,1-6H3,(H,25,26);1H3
InChIKeyYGFZCQCAUKWARP-UHFFFAOYSA-N
XLogP8.40
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;2,3,3-tributyl-2,4-diethyloctanoic acid?
The IUPAC name of azane;2,3,3-tributyl-2,4-diethyloctanoic acid (CID 174659015) is azane;2,3,3-tributyl-2,4-diethyloctanoic acid.
What is the SMILES notation for azane;2,3,3-tributyl-2,4-diethyloctanoic acid?
The canonical SMILES for azane;2,3,3-tributyl-2,4-diethyloctanoic acid is CCCCC(CC)C(CCCC)(CCCC)C(CC)(CCCC)C(=O)O.N.
What is the InChIKey of azane;2,3,3-tributyl-2,4-diethyloctanoic acid?
The InChIKey is YGFZCQCAUKWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2.H3N/c1-7-13-17-21(11-5)24(19-15-9-3,20-16-10-4)23(12-6,22(25)26)18-14-8-2;/h21H,7-20H2,1-6H3,(H,25,26);1H3.
What are the key properties of azane;2,3,3-tributyl-2,4-diethyloctanoic acid?
azane;2,3,3-tributyl-2,4-diethyloctanoic acid has a molecular weight of 385.68 g/mol, XLogP of 8.40, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,3-tributyl-2,4-diethyloctanoic acid is sourced from PubChem (CID 174659015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).