ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate

C17H33NO3 — CID 64707958

IUPACethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate
SMILESCCNC(C)(CC(C)OC1CCCC(C)C1)C(=O)OCC
InChIInChI=1S/C17H33NO3/c1-6-18-17(5,16(19)20-7-2)12-14(4)21-15-10-8-9-13(3)11-15/h13-15,18H,6-12H2,1-5H3
InChIKeyCMJPCADBOHZQNJ-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds8

About ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate

ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate (PubChem CID 64707958) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate
PubChem CID64707958
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate
SMILESCCNC(C)(CC(C)OC1CCCC(C)C1)C(=O)OCC
InChIInChI=1S/C17H33NO3/c1-6-18-17(5,16(19)20-7-2)12-14(4)21-15-10-8-9-13(3)11-15/h13-15,18H,6-12H2,1-5H3
InChIKeyCMJPCADBOHZQNJ-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
2-methyl-2-(methylamino)-4-(3-methylcyclohexyl)oxypentanamide
CID 64707548
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
4-(3-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)pentanamide
CID 64719823
ethyl 2-methyl-2-(methylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722466
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
(3-methylcyclohexyl) 2-aminopentanoate
CID 61302315
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62329860
2-(ethylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanoic acid
CID 55111510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate (CID 64707958) is ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate is CCNC(C)(CC(C)OC1CCCC(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate?
The InChIKey is CMJPCADBOHZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-6-18-17(5,16(19)20-7-2)12-14(4)21-15-10-8-9-13(3)11-15/h13-15,18H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate?
ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate is sourced from PubChem (CID 64707958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).