7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane

C12H23NO — CID 129290547

IUPAC7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCC(C)(C)OC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-12(8-13)6-5-11(3,4)14-9-12/h10H,5-9H2,1-4H3
InChIKeyYRXKMPAPEFWRLN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane

7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane (PubChem CID 129290547) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
PubChem CID129290547
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCC(C)(C)OC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-12(8-13)6-5-11(3,4)14-9-12/h10H,5-9H2,1-4H3
InChIKeyYRXKMPAPEFWRLN-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane (CID 129290547) is 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane is CC(C)N1CC2(CCC(C)(C)OC2)C1.
What is the InChIKey of 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YRXKMPAPEFWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-7-12(8-13)6-5-11(3,4)14-9-12/h10H,5-9H2,1-4H3.
What are the key properties of 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane?
7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 129290547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).