1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane

C11H21NO2 — CID 177126154

IUPAC1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)OC1COCC12CCCN2C
InChIInChI=1S/C11H21NO2/c1-9(2)14-10-7-13-8-11(10)5-4-6-12(11)3/h9-10H,4-8H2,1-3H3
InChIKeyCQGOLRGSTSSTGW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane

1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane (PubChem CID 177126154) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane
PubChem CID177126154
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane
SMILESCC(C)OC1COCC12CCCN2C
InChIInChI=1S/C11H21NO2/c1-9(2)14-10-7-13-8-11(10)5-4-6-12(11)3/h9-10H,4-8H2,1-3H3
InChIKeyCQGOLRGSTSSTGW-UHFFFAOYSA-N
XLogP1.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane?
The IUPAC name of 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane (CID 177126154) is 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane.
What is the SMILES notation for 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane?
The canonical SMILES for 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane is CC(C)OC1COCC12CCCN2C.
What is the InChIKey of 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane?
The InChIKey is CQGOLRGSTSSTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-10-7-13-8-11(10)5-4-6-12(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane?
1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane has a molecular weight of 199.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane is sourced from PubChem (CID 177126154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).