6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid

C11H23NO2 — CID 106713898

IUPAC6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
SMILESCCN(C)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-12(4)9-7-6-8-11(2,3)10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyWOQCGKFSZQPHBI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds7

About 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid

6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid (PubChem CID 106713898) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
PubChem CID106713898
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
SMILESCCN(C)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-5-12(4)9-7-6-8-11(2,3)10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyWOQCGKFSZQPHBI-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
CID 106713981
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
CID 65254940
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid?
The IUPAC name of 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid (CID 106713898) is 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid is CCN(C)CCCCC(C)(C)C(=O)O.
What is the InChIKey of 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid?
The InChIKey is WOQCGKFSZQPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-12(4)9-7-6-8-11(2,3)10(13)14/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid?
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid is sourced from PubChem (CID 106713898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).