methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate

C16H33NO3 — CID 64706936

IUPACmethyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCCCC(CC)COC(C)CC(C)(NC)C(=O)OC
InChIInChI=1S/C16H33NO3/c1-7-9-10-14(8-2)12-20-13(3)11-16(4,17-5)15(18)19-6/h13-14,17H,7-12H2,1-6H3
InChIKeyHVWXMUGTJLBQQZ-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.15
Rot. Bonds11

About methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate

methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64706936) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate
PubChem CID64706936
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Namemethyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCCCC(CC)COC(C)CC(C)(NC)C(=O)OC
InChIInChI=1S/C16H33NO3/c1-7-9-10-14(8-2)12-20-13(3)11-16(4,17-5)15(18)19-6/h13-14,17H,7-12H2,1-6H3
InChIKeyHVWXMUGTJLBQQZ-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64727764
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
2-methyl-2-(methylamino)-4-(2-methylpentoxy)pentanamide
CID 103284859
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
4-(2-methoxyethoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707377
methyl 2,2,3-trimethylheptanoate
CID 87200659

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate (CID 64706936) is methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate is CCCCC(CC)COC(C)CC(C)(NC)C(=O)OC.
What is the InChIKey of methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is HVWXMUGTJLBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-7-9-10-14(8-2)12-20-13(3)11-16(4,17-5)15(18)19-6/h13-14,17H,7-12H2,1-6H3.
What are the key properties of methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate?
methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 287.44 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64706936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).