2-(dibutylamino)-2-methylhexanoic acid

C15H31NO2 — CID 174674804

IUPAC2-(dibutylamino)-2-methylhexanoic acid
SMILESCCCCN(CCCC)C(C)(CCCC)C(=O)O
InChIInChI=1S/C15H31NO2/c1-5-8-11-15(4,14(17)18)16(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,17,18)
InChIKeyUVDDBUDPTWBKET-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.92
Rot. Bonds11

About 2-(dibutylamino)-2-methylhexanoic acid

2-(dibutylamino)-2-methylhexanoic acid (PubChem CID 174674804) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(dibutylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(dibutylamino)-2-methylhexanoic acid
PubChem CID174674804
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(dibutylamino)-2-methylhexanoic acid
SMILESCCCCN(CCCC)C(C)(CCCC)C(=O)O
InChIInChI=1S/C15H31NO2/c1-5-8-11-15(4,14(17)18)16(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,17,18)
InChIKeyUVDDBUDPTWBKET-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-methylhexanoic acid
CID 175182682
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
N,N,5-tributylnonan-5-amine
CID 175088572
2-[formyl(propyl)amino]-2-methylheptanoic acid
CID 80557943
2-butyl-2-methylhexanoic acid
CID 15930803
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
N,N-dibutyl-5-propylnonan-5-amine
CID 141372550
2-[acetyl(ethyl)amino]-2-methylnonanoic acid
CID 63701700
pentane-1,1,1-tricarboxylic acid
CID 19386814
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999200

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-2-methylhexanoic acid?
The IUPAC name of 2-(dibutylamino)-2-methylhexanoic acid (CID 174674804) is 2-(dibutylamino)-2-methylhexanoic acid.
What is the SMILES notation for 2-(dibutylamino)-2-methylhexanoic acid?
The canonical SMILES for 2-(dibutylamino)-2-methylhexanoic acid is CCCCN(CCCC)C(C)(CCCC)C(=O)O.
What is the InChIKey of 2-(dibutylamino)-2-methylhexanoic acid?
The InChIKey is UVDDBUDPTWBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-8-11-15(4,14(17)18)16(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,17,18).
What are the key properties of 2-(dibutylamino)-2-methylhexanoic acid?
2-(dibutylamino)-2-methylhexanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-2-methylhexanoic acid is sourced from PubChem (CID 174674804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).