3-(dimethylamino)-2-propan-2-ylhexanoic acid

C11H23NO2 — CID 116913148

IUPAC3-(dimethylamino)-2-propan-2-ylhexanoic acid
SMILESCCCC(C(C(=O)O)C(C)C)N(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-9(12(4)5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeySLXJFTJNWATSTI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.07
Rot. Bonds6

About 3-(dimethylamino)-2-propan-2-ylhexanoic acid

3-(dimethylamino)-2-propan-2-ylhexanoic acid (PubChem CID 116913148) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(dimethylamino)-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-propan-2-ylhexanoic acid
PubChem CID116913148
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(dimethylamino)-2-propan-2-ylhexanoic acid
SMILESCCCC(C(C(=O)O)C(C)C)N(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-9(12(4)5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeySLXJFTJNWATSTI-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
2-(1-aminobutyl)-3-methylbutanedioic acid
CID 88698723
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
3-N,3-N-dimethylhexane-2,3-diamine
CID 116904410
ethane;2-propan-2-ylpentanoic acid
CID 175540570
3-hydroxy-2-propan-2-ylpentanoic acid
CID 62398643
CID 159174397
CID 159174397
2-silylpentanoic acid
CID 154177343
2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
CID 79407225
3-methyl-2-propylpentanoic acid
CID 54305821
dibutyl 2-propan-2-yl-3-propylbutanedioate
CID 89106585

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-propan-2-ylhexanoic acid?
The IUPAC name of 3-(dimethylamino)-2-propan-2-ylhexanoic acid (CID 116913148) is 3-(dimethylamino)-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-propan-2-ylhexanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-propan-2-ylhexanoic acid is CCCC(C(C(=O)O)C(C)C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-propan-2-ylhexanoic acid?
The InChIKey is SLXJFTJNWATSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-9(12(4)5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-(dimethylamino)-2-propan-2-ylhexanoic acid?
3-(dimethylamino)-2-propan-2-ylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 116913148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).