hexyl 2-methyl-2-(methylamino)propanoate

C11H23NO2 — CID 62821057

IUPAChexyl 2-methyl-2-(methylamino)propanoate
SMILESCCCCCCOC(=O)C(C)(C)NC
InChIInChI=1S/C11H23NO2/c1-5-6-7-8-9-14-10(13)11(2,3)12-4/h12H,5-9H2,1-4H3
InChIKeyTWBBBVLJFGDTHT-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About hexyl 2-methyl-2-(methylamino)propanoate

hexyl 2-methyl-2-(methylamino)propanoate (PubChem CID 62821057) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is hexyl 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namehexyl 2-methyl-2-(methylamino)propanoate
PubChem CID62821057
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namehexyl 2-methyl-2-(methylamino)propanoate
SMILESCCCCCCOC(=O)C(C)(C)NC
InChIInChI=1S/C11H23NO2/c1-5-6-7-8-9-14-10(13)11(2,3)12-4/h12H,5-9H2,1-4H3
InChIKeyTWBBBVLJFGDTHT-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-pentadecyl 3-O-pentyl 2,2-dimethylpropanedioate
CID 91733314
1-O-octyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714605
1-O-heptadecyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714586
dioctyl 2,2,3,3-tetramethylbutanedioate
CID 169094094
heptadecyl 2,2-dimethylpropanoate
CID 568514
1-O-nonyl 3-O-tetradecyl 2,2-dimethylpropanedioate
CID 91714620
1-O-hexyl 3-O-tridecyl 2,2-dimethylpropanedioate
CID 91699185
1-O-octyl 3-O-pentadecyl 2,2-dimethylpropanedioate
CID 91714576
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
1-O-butyl 3-O-nonyl 2,2-dimethylpropanedioate
CID 91699199
undecyl 2,2-dimethylpropanoate;hydrochloride
CID 174740380

Frequently Asked Questions

What is the IUPAC name of hexyl 2-methyl-2-(methylamino)propanoate?
The IUPAC name of hexyl 2-methyl-2-(methylamino)propanoate (CID 62821057) is hexyl 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for hexyl 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for hexyl 2-methyl-2-(methylamino)propanoate is CCCCCCOC(=O)C(C)(C)NC.
What is the InChIKey of hexyl 2-methyl-2-(methylamino)propanoate?
The InChIKey is TWBBBVLJFGDTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-7-8-9-14-10(13)11(2,3)12-4/h12H,5-9H2,1-4H3.
What are the key properties of hexyl 2-methyl-2-(methylamino)propanoate?
hexyl 2-methyl-2-(methylamino)propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 62821057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).