(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane

C12H23NO — CID 22689141

IUPAC(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane
SMILESCCC(C)[C@H]1COCC2(CCCC2)N1
InChIInChI=1S/C12H23NO/c1-3-10(2)11-8-14-9-12(13-11)6-4-5-7-12/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyGSBIEVBWXKSTGF-RRKGBCIJSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane

(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane (PubChem CID 22689141) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane
PubChem CID22689141
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane
SMILESCCC(C)[C@H]1COCC2(CCCC2)N1
InChIInChI=1S/C12H23NO/c1-3-10(2)11-8-14-9-12(13-11)6-4-5-7-12/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyGSBIEVBWXKSTGF-RRKGBCIJSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane (CID 22689141) is (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane is CCC(C)[C@H]1COCC2(CCCC2)N1.
What is the InChIKey of (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is GSBIEVBWXKSTGF-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(2)11-8-14-9-12(13-11)6-4-5-7-12/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane?
(7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-butan-2-yl-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 22689141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).