(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C12H23NO — CID 130224499

IUPAC(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)C[C@H](C)CO2
InChIInChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyQORHZHLHCGOBRC-NSHDSACASA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 130224499) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID130224499
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)C[C@H](C)CO2
InChIInChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyQORHZHLHCGOBRC-NSHDSACASA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 130224499) is (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC(C)N1CCC2(CC1)C[C@H](C)CO2.
What is the InChIKey of (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QORHZHLHCGOBRC-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 130224499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).