9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane

C12H23NO — CID 166858231

IUPAC9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
SMILESCC1COCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-5-4-12(8-13)6-11(3)7-14-9-12/h10-11H,4-9H2,1-3H3
InChIKeyDQWFLQJUAZKVQN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds1

About 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane

9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane (PubChem CID 166858231) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
PubChem CID166858231
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
SMILESCC1COCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-5-4-12(8-13)6-11(3)7-14-9-12/h10-11H,4-9H2,1-3H3
InChIKeyDQWFLQJUAZKVQN-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane (CID 166858231) is 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane is CC1COCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane?
The InChIKey is DQWFLQJUAZKVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-5-4-12(8-13)6-11(3)7-14-9-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane?
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 166858231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).