8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C14H26N2O2 — CID 137370665

IUPAC8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CCC(C)C)C2)OC(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-16-10-14(18-12(4)13(16)17)8-15(9-14)7-6-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyBTDKGMFDSQZHST-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds4

About 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 137370665) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID137370665
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CCC(C)C)C2)OC(C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-16-10-14(18-12(4)13(16)17)8-15(9-14)7-6-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyBTDKGMFDSQZHST-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 137370665) is 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CCN1CC2(CN(CCC(C)C)C2)OC(C)C1=O.
What is the InChIKey of 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is BTDKGMFDSQZHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-16-10-14(18-12(4)13(16)17)8-15(9-14)7-6-11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 254.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methyl-2-(3-methylbutyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 137370665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).