1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane

C10H19NO — CID 90348106

IUPAC1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC12CCOC2
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(11)5-7-12-8-10/h9H,3-8H2,1-2H3
InChIKeyOVUXEDRXBIANRB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds1

About 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane

1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 90348106) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
PubChem CID90348106
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)N1CCCC12CCOC2
InChIInChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(11)5-7-12-8-10/h9H,3-8H2,1-2H3
InChIKeyOVUXEDRXBIANRB-UHFFFAOYSA-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

Analyze 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane (CID 90348106) is 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane is CC(C)N1CCCC12CCOC2.
What is the InChIKey of 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is OVUXEDRXBIANRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11-6-3-4-10(11)5-7-12-8-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane?
1-propan-2-yl-7-oxa-1-azaspiro[4.4]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 1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 90348106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).