methyl 2-[methyl(octyl)amino]acetate

C12H25NO2 — CID 62028594

IUPACmethyl 2-[methyl(octyl)amino]acetate
SMILESCCCCCCCCN(C)CC(=O)OC
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10-13(2)11-12(14)15-3/h4-11H2,1-3H3
InChIKeyWFLNNXGZSSTEIW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds9

About methyl 2-[methyl(octyl)amino]acetate

methyl 2-[methyl(octyl)amino]acetate (PubChem CID 62028594) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-[methyl(octyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(octyl)amino]acetate
PubChem CID62028594
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-[methyl(octyl)amino]acetate
SMILESCCCCCCCCN(C)CC(=O)OC
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10-13(2)11-12(14)15-3/h4-11H2,1-3H3
InChIKeyWFLNNXGZSSTEIW-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
alumanyl 2-[methyl(pentyl)amino]acetate
CID 173223235
2-[hexyl(methyl)amino]acetic acid
CID 10197909
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
2-[methyl(tridecyl)amino]acetamide
CID 175737609
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-methylamino]acetate
CID 62026509
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 118199886
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
methyl 4-(dihexylamino)butanoate
CID 142540666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(octyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(octyl)amino]acetate (CID 62028594) is methyl 2-[methyl(octyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(octyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(octyl)amino]acetate is CCCCCCCCN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[methyl(octyl)amino]acetate?
The InChIKey is WFLNNXGZSSTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10-13(2)11-12(14)15-3/h4-11H2,1-3H3.
What are the key properties of methyl 2-[methyl(octyl)amino]acetate?
methyl 2-[methyl(octyl)amino]acetate has a molecular weight of 215.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(octyl)amino]acetate is sourced from PubChem (CID 62028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).