8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C11H21NO — CID 67986660

IUPAC8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13-11/h10H,3-9H2,1-2H3
InChIKeyJDBSNTHUALGRNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds1

About 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 67986660) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID67986660
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13-11/h10H,3-9H2,1-2H3
InChIKeyJDBSNTHUALGRNV-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 67986660) is 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC(C)N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JDBSNTHUALGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13-11/h10H,3-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67986660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).