(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane

C13H25NO — CID 172515568

IUPAC(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H]1C[C@@]2(CCCO2)CCN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-11-10-13(6-5-9-15-13)7-8-14(11)12(2,3)4/h11H,5-10H2,1-4H3/t11-,13-/m1/s1
InChIKeyCQLXNRALXJITLE-DGCLKSJQSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds

About (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane

(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 172515568) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID172515568
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESC[C@@H]1C[C@@]2(CCCO2)CCN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-11-10-13(6-5-9-15-13)7-8-14(11)12(2,3)4/h11H,5-10H2,1-4H3/t11-,13-/m1/s1
InChIKeyCQLXNRALXJITLE-DGCLKSJQSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methyl-1-oxaspiro[4.5]decan-7-yl)pyrrolidine
CID 129087656
2-(1-oxa-9-azaspiro[5.5]undecan-9-yl)propane-2-thiol
CID 139475254
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
methanol;4-oxaspiro[2.4]heptane
CID 144744375
8-propyl-1-oxa-8-azaspiro[4.5]decane
CID 149367248
9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane (CID 172515568) is (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane is C[C@@H]1C[C@@]2(CCCO2)CCN1C(C)(C)C.
What is the InChIKey of (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CQLXNRALXJITLE-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-10-13(6-5-9-15-13)7-8-14(11)12(2,3)4/h11H,5-10H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane?
(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 211.35 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 172515568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).