(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane

C10H19NO — CID 171748509

IUPAC(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)N1CCC[C@]2(CCO2)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(8-11)5-7-12-10/h9H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyIKNMFCIFHWKAEK-JTQLQIEISA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds1

About (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane

(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane (PubChem CID 171748509) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
PubChem CID171748509
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)N1CCC[C@]2(CCO2)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(8-11)5-7-12-10/h9H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyIKNMFCIFHWKAEK-JTQLQIEISA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 121202316
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 158454849
3-methyl-7-propan-2-yl-1-oxa-3,7-diazaspiro[4.4]nonane
CID 176693425
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
CID 79907158
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785

Frequently Asked Questions

What is the IUPAC name of (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane (CID 171748509) is (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane is CC(C)N1CCC[C@]2(CCO2)C1.
What is the InChIKey of (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane?
The InChIKey is IKNMFCIFHWKAEK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(8-11)5-7-12-10/h9H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane?
(4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-propan-2-yl-1-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 171748509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).