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

C14H26N2O2 — CID 129070044

IUPAC(6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-16-10-14(18-11(2)12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyYSWCVTKMQYZIPN-NSHDSACASA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds2

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

(6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 129070044) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name(6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID129070044
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-16-10-14(18-11(2)12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyYSWCVTKMQYZIPN-NSHDSACASA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 129070044) is (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CCN1CC2(CN(CC(C)(C)C)C2)O[C@@H](C)C1=O.
What is the InChIKey of (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is YSWCVTKMQYZIPN-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-16-10-14(18-11(2)12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
(6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 254.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2,2-dimethylpropyl)-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 129070044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).