methyl 2-methyl-3-[methyl(octyl)amino]propanoate

C14H29NO2 — CID 62011879

IUPACmethyl 2-methyl-3-[methyl(octyl)amino]propanoate
SMILESCCCCCCCCN(C)CC(C)C(=O)OC
InChIInChI=1S/C14H29NO2/c1-5-6-7-8-9-10-11-15(3)12-13(2)14(16)17-4/h13H,5-12H2,1-4H3
InChIKeyFEZIZZWXLOLBFO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds10

About methyl 2-methyl-3-[methyl(octyl)amino]propanoate

methyl 2-methyl-3-[methyl(octyl)amino]propanoate (PubChem CID 62011879) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(octyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(octyl)amino]propanoate
PubChem CID62011879
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namemethyl 2-methyl-3-[methyl(octyl)amino]propanoate
SMILESCCCCCCCCN(C)CC(C)C(=O)OC
InChIInChI=1S/C14H29NO2/c1-5-6-7-8-9-10-11-15(3)12-13(2)14(16)17-4/h13H,5-12H2,1-4H3
InChIKeyFEZIZZWXLOLBFO-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
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-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
CID 55183278
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(octyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(octyl)amino]propanoate (CID 62011879) is methyl 2-methyl-3-[methyl(octyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(octyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(octyl)amino]propanoate is CCCCCCCCN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[methyl(octyl)amino]propanoate?
The InChIKey is FEZIZZWXLOLBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-6-7-8-9-10-11-15(3)12-13(2)14(16)17-4/h13H,5-12H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(octyl)amino]propanoate?
methyl 2-methyl-3-[methyl(octyl)amino]propanoate has a molecular weight of 243.39 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(octyl)amino]propanoate is sourced from PubChem (CID 62011879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).