(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C16H30N2O2 — CID 129069913

IUPAC(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O2/c1-12(2)18-11-16(20-13(3)14(18)19)9-17(10-16)8-7-15(4,5)6/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyJREVQBMVAABLGI-ZDUSSCGKSA-N
MW282.43 g/mol
LogP2.13
Rot. Bonds3

About (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 129069913) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID129069913
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O2/c1-12(2)18-11-16(20-13(3)14(18)19)9-17(10-16)8-7-15(4,5)6/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyJREVQBMVAABLGI-ZDUSSCGKSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 129069913) is (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CC(C)N1CC2(CN(CCC(C)(C)C)C2)O[C@@H](C)C1=O.
What is the InChIKey of (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is JREVQBMVAABLGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)18-11-16(20-13(3)14(18)19)9-17(10-16)8-7-15(4,5)6/h12-13H,7-11H2,1-6H3/t13-/m0/s1.
What are the key properties of (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
(6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 282.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(3,3-dimethylbutyl)-6-methyl-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 129069913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).