ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate

C16H31NO3 — CID 106204484

IUPACethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCCC1CCC1)NC
InChIInChI=1S/C16H31NO3/c1-4-20-15(18)16(2,17-3)11-5-6-12-19-13-10-14-8-7-9-14/h14,17H,4-13H2,1-3H3
InChIKeyCQYXGEWDRIUSKS-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds11

About ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate

ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate (PubChem CID 106204484) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
PubChem CID106204484
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
SMILESCCOC(=O)C(C)(CCCCOCCC1CCC1)NC
InChIInChI=1S/C16H31NO3/c1-4-20-15(18)16(2,17-3)11-5-6-12-19-13-10-14-8-7-9-14/h14,17H,4-13H2,1-3H3
InChIKeyCQYXGEWDRIUSKS-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 6-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63119967
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate?
The IUPAC name of ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate (CID 106204484) is ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate.
What is the SMILES notation for ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate?
The canonical SMILES for ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate is CCOC(=O)C(C)(CCCCOCCC1CCC1)NC.
What is the InChIKey of ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate?
The InChIKey is CQYXGEWDRIUSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-20-15(18)16(2,17-3)11-5-6-12-19-13-10-14-8-7-9-14/h14,17H,4-13H2,1-3H3.
What are the key properties of ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate?
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate is sourced from PubChem (CID 106204484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).