methyl 3-(dimethylamino)-2,2-dimethylhexanoate

C11H23NO2 — CID 116910329

IUPACmethyl 3-(dimethylamino)-2,2-dimethylhexanoate
SMILESCCCC(N(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-8-9(12(4)5)11(2,3)10(13)14-6/h9H,7-8H2,1-6H3
InChIKeyXZOIQVUZAAQGKJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-(dimethylamino)-2,2-dimethylhexanoate

methyl 3-(dimethylamino)-2,2-dimethylhexanoate (PubChem CID 116910329) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2,2-dimethylhexanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2,2-dimethylhexanoate
PubChem CID116910329
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-(dimethylamino)-2,2-dimethylhexanoate
SMILESCCCC(N(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-7-8-9(12(4)5)11(2,3)10(13)14-6/h9H,7-8H2,1-6H3
InChIKeyXZOIQVUZAAQGKJ-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
methyl 3-(hydroxyamino)-2,2-dimethylhexanoate
CID 102082045
methyl 3-(dimethylamino)-2,2,4,4-tetramethylpentanoate
CID 116910331
methyl 2,2,3-trimethylheptanoate
CID 87200659
methyl (3S)-3-hydroxy-2,2-dimethyloctanoate
CID 101168876
methyl 3-decyl-2,2-dimethyltridecanoate
CID 175420774
methyl 2,2,3-trimethylhexadecanoate
CID 87793421
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2,2-dimethylhexanoate?
The IUPAC name of methyl 3-(dimethylamino)-2,2-dimethylhexanoate (CID 116910329) is methyl 3-(dimethylamino)-2,2-dimethylhexanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2,2-dimethylhexanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2,2-dimethylhexanoate is CCCC(N(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(dimethylamino)-2,2-dimethylhexanoate?
The InChIKey is XZOIQVUZAAQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-8-9(12(4)5)11(2,3)10(13)14-6/h9H,7-8H2,1-6H3.
What are the key properties of methyl 3-(dimethylamino)-2,2-dimethylhexanoate?
methyl 3-(dimethylamino)-2,2-dimethylhexanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2,2-dimethylhexanoate is sourced from PubChem (CID 116910329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).