methyl 3-(ethylamino)-3-methyldecanoate

C14H29NO2 — CID 65234959

IUPACmethyl 3-(ethylamino)-3-methyldecanoate
SMILESCCCCCCCC(C)(CC(=O)OC)NCC
InChIInChI=1S/C14H29NO2/c1-5-7-8-9-10-11-14(3,15-6-2)12-13(16)17-4/h15H,5-12H2,1-4H3
InChIKeyYMFQXQFXDRVEFE-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.28
Rot. Bonds10

About methyl 3-(ethylamino)-3-methyldecanoate

methyl 3-(ethylamino)-3-methyldecanoate (PubChem CID 65234959) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-methyldecanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-methyldecanoate
PubChem CID65234959
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namemethyl 3-(ethylamino)-3-methyldecanoate
SMILESCCCCCCCC(C)(CC(=O)OC)NCC
InChIInChI=1S/C14H29NO2/c1-5-7-8-9-10-11-14(3,15-6-2)12-13(16)17-4/h15H,5-12H2,1-4H3
InChIKeyYMFQXQFXDRVEFE-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.28
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

methyl 3,3-dimethylhenicosanoate
CID 575395
methyl 3-dodecyl-3-methylpentadecanoate
CID 175183210
N-ethyl-7-methyltetradecan-7-amine
CID 593697
methyl 5,5-dimethylundecanoate
CID 138647692
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
ethyl 3-methyl-3-(methylamino)octanoate
CID 80558531
3-methyl-3-(propylamino)octanoic acid
CID 80558615
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826
N-ethyl-2-methyloctan-2-amine
CID 123477104

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-methyldecanoate?
The IUPAC name of methyl 3-(ethylamino)-3-methyldecanoate (CID 65234959) is methyl 3-(ethylamino)-3-methyldecanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-methyldecanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-methyldecanoate is CCCCCCCC(C)(CC(=O)OC)NCC.
What is the InChIKey of methyl 3-(ethylamino)-3-methyldecanoate?
The InChIKey is YMFQXQFXDRVEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-8-9-10-11-14(3,15-6-2)12-13(16)17-4/h15H,5-12H2,1-4H3.
What are the key properties of methyl 3-(ethylamino)-3-methyldecanoate?
methyl 3-(ethylamino)-3-methyldecanoate has a molecular weight of 243.39 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-methyldecanoate is sourced from PubChem (CID 65234959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).