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

C12H23NO — CID 18342666

IUPAC3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3
InChIKeyQORHZHLHCGOBRC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 18342666) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID18342666
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3
InChIKeyQORHZHLHCGOBRC-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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Related Compounds

N,N,2,8-tetramethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 10353145
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 10374857
(3-Fluoro-8-propyl-1-oxa-8-azaspiro[4.5]decan-3-yl)phosphane
CID 177031979
8-(2-Fluorocyclohexyl)-1-oxa-8-azaspiro[4.5]decane
CID 177011174
8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134076295
1-(2,2-Dimethyloxan-4-yl)pyrrolidine
CID 13287495
3,8-Dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 14220663
2-Methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 18342667
2,2,8-Trimethyl-1-oxa-8-azaspiro[4.5]decane
CID 21050543
8-Methyl-1-oxa-8-azaspiro[4.5]decane
CID 21050571
2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 23356724
4-(3-Propoxypropyl)-1-propylpiperidine
CID 53765603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 18342666) is 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC1COC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QORHZHLHCGOBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane 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 3-methyl-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).