3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol

C13H26N2O2 — CID 170052248

IUPAC3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol
SMILESCC(C)N1CCC2(CC1)OCN(C(C)C)C2O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-13(6-8-14)12(16)15(9-17-13)11(3)4/h10-12,16H,5-9H2,1-4H3
InChIKeySOWIWCJSCDNPOD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.25
Rot. Bonds2

About 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol

3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol (PubChem CID 170052248) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol
PubChem CID170052248
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol
SMILESCC(C)N1CCC2(CC1)OCN(C(C)C)C2O
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-13(6-8-14)12(16)15(9-17-13)11(3)4/h10-12,16H,5-9H2,1-4H3
InChIKeySOWIWCJSCDNPOD-UHFFFAOYSA-N
XLogP1.25
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol?
The IUPAC name of 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol (CID 170052248) is 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol.
What is the SMILES notation for 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol?
The canonical SMILES for 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol is CC(C)N1CCC2(CC1)OCN(C(C)C)C2O.
What is the InChIKey of 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol?
The InChIKey is SOWIWCJSCDNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-7-5-13(6-8-14)12(16)15(9-17-13)11(3)4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol?
3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol has a molecular weight of 242.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol is sourced from PubChem (CID 170052248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).