3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane

C17H25NO — CID 142826212

IUPAC3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC1CCC2(CCN(C)CC2)OC1c1ccccc1
InChIInChI=1S/C17H25NO/c1-14-8-9-17(10-12-18(2)13-11-17)19-16(14)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyJPUFCKUGZZCEFZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds1

About 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane

3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 142826212) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID142826212
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC1CCC2(CCN(C)CC2)OC1c1ccccc1
InChIInChI=1S/C17H25NO/c1-14-8-9-17(10-12-18(2)13-11-17)19-16(14)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyJPUFCKUGZZCEFZ-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
CID 23467197
8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 67987626
N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine
CID 135753475
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
CID 142826209
2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 165353119
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 142283435
8-methyl-7-phenyl-6-oxa-9-azaspiro[4.5]decane
CID 65103492
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
5-benzyl-1'-methylspiro[2,7-dioxa-5-azabicyclo[4.1.0]heptane-3,4'-piperidine]
CID 163922660
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
(4-hydroxy-1-methylpiperidin-4-yl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154821214
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane (CID 142826212) is 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane is CC1CCC2(CCN(C)CC2)OC1c1ccccc1.
What is the InChIKey of 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is JPUFCKUGZZCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-8-9-17(10-12-18(2)13-11-17)19-16(14)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane?
3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 259.39 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 142826212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).