ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate

C15H31NO4 — CID 103489864

IUPACethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOCC(C)OCCCCC(C)(NC)C(=O)OCC
InChIInChI=1S/C15H31NO4/c1-6-18-12-13(3)20-11-9-8-10-15(4,16-5)14(17)19-7-2/h13,16H,6-12H2,1-5H3
InChIKeyRTQPGUAWVRIDHA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.14
Rot. Bonds12

About ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate

ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate (PubChem CID 103489864) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
PubChem CID103489864
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Nameethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOCC(C)OCCCCC(C)(NC)C(=O)OCC
InChIInChI=1S/C15H31NO4/c1-6-18-12-13(3)20-11-9-8-10-15(4,16-5)14(17)19-7-2/h13,16H,6-12H2,1-5H3
InChIKeyRTQPGUAWVRIDHA-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
CID 82940420
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate (CID 103489864) is ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate is CCOCC(C)OCCCCC(C)(NC)C(=O)OCC.
What is the InChIKey of ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate?
The InChIKey is RTQPGUAWVRIDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-6-18-12-13(3)20-11-9-8-10-15(4,16-5)14(17)19-7-2/h13,16H,6-12H2,1-5H3.
What are the key properties of ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate?
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate has a molecular weight of 289.42 g/mol, XLogP of 2.14, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 103489864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).