(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane

C15H34N2O — CID 159006531

IUPAC(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane
SMILESC.CC.CC.CN1CCC[C@]2(CCN(C)C2=O)C1
InChIInChI=1S/C10H18N2O.2C2H6.CH4/c1-11-6-3-4-10(8-11)5-7-12(2)9(10)13;2*1-2;/h3-8H2,1-2H3;2*1-2H3;1H4/t10-;;;/m0.../s1
InChIKeyJRZHWXGUTRKSJA-KAFJHEIMSA-N
MW258.45 g/mol
LogP3.25
Rot. Bonds

About (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane

(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane (PubChem CID 159006531) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane.

Molecular Properties

Compound Name(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane
PubChem CID159006531
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane
SMILESC.CC.CC.CN1CCC[C@]2(CCN(C)C2=O)C1
InChIInChI=1S/C10H18N2O.2C2H6.CH4/c1-11-6-3-4-10(8-11)5-7-12(2)9(10)13;2*1-2;/h3-8H2,1-2H3;2*1-2H3;1H4/t10-;;;/m0.../s1
InChIKeyJRZHWXGUTRKSJA-KAFJHEIMSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane?
The IUPAC name of (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane (CID 159006531) is (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane.
What is the SMILES notation for (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane?
The canonical SMILES for (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane is C.CC.CC.CN1CCC[C@]2(CCN(C)C2=O)C1.
What is the InChIKey of (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane?
The InChIKey is JRZHWXGUTRKSJA-KAFJHEIMSA-N. The full InChI is InChI=1S/C10H18N2O.2C2H6.CH4/c1-11-6-3-4-10(8-11)5-7-12(2)9(10)13;2*1-2;/h3-8H2,1-2H3;2*1-2H3;1H4/t10-;;;/m0.../s1.
What are the key properties of (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane?
(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane has a molecular weight of 258.45 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane is sourced from PubChem (CID 159006531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).