ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C14H26N2O3 — CID 23356720

IUPACethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(N(C)C)C(C)O2
InChIInChI=1S/C14H26N2O3/c1-5-18-13(17)16-8-6-14(7-9-16)10-12(15(3)4)11(2)19-14/h11-12H,5-10H2,1-4H3
InChIKeyVEQWKTWZQRAJNT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.72
Rot. Bonds2

About ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 23356720) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID23356720
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(N(C)C)C(C)O2
InChIInChI=1S/C14H26N2O3/c1-5-18-13(17)16-8-6-14(7-9-16)10-12(15(3)4)11(2)19-14/h11-12H,5-10H2,1-4H3
InChIKeyVEQWKTWZQRAJNT-UHFFFAOYSA-N
XLogP1.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 23356720) is ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(N(C)C)C(C)O2.
What is the InChIKey of ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is VEQWKTWZQRAJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-18-13(17)16-8-6-14(7-9-16)10-12(15(3)4)11(2)19-14/h11-12H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 23356720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).