4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane

C14H27NO — CID 134242705

IUPAC4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCC1COC2(CCN(C)CC2)CC1C
InChIInChI=1S/C14H27NO/c1-4-5-13-11-16-14(10-12(13)2)6-8-15(3)9-7-14/h12-13H,4-11H2,1-3H3
InChIKeyBAQSUCJWRSBWPA-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds2

About 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane

4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 134242705) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID134242705
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCC1COC2(CCN(C)CC2)CC1C
InChIInChI=1S/C14H27NO/c1-4-5-13-11-16-14(10-12(13)2)6-8-15(3)9-7-14/h12-13H,4-11H2,1-3H3
InChIKeyBAQSUCJWRSBWPA-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Ethyl-8-methyl-2-(prop-2-YN-1-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 4421089
1-Butyl-4-cyclohexyl-4-propoxypiperidine
CID 3030417
1-(3-((1-Cyclohexylcyclohexyl)oxy)propyl)piperidine hydrochloride
CID 3030460
9-Methyl-1-oxa-9-azaspiro[5.5]undecane
CID 21050547
1',4-Dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]
CID 58516165
1-[(3S)-5,6-ditert-butyl-2,2,3-trimethyloxan-4-yl]piperidine
CID 58659499
1-[(3S,4R)-5,6-ditert-butyl-2,2,3-trimethyloxan-4-yl]piperidine
CID 58725251
1-Methyl-4-(oxan-4-yl)piperidine
CID 58931517
1-(2-Methylpropyl)-4-(oxan-4-yl)piperidine
CID 59603409
8-Methyl-3-(2-methylpropyl)-1-oxa-8-azaspiro[4.5]decane
CID 66634713
4-Butoxy-4-cyclohexylpiperidine
CID 66987977
8-Methyl-1-oxa-8-azaspiro[5.5]undecane
CID 67987575

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane (CID 134242705) is 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane is CCCC1COC2(CCN(C)CC2)CC1C.
What is the InChIKey of 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is BAQSUCJWRSBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-13-11-16-14(10-12(13)2)6-8-15(3)9-7-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 225.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 134242705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).