3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane

C15H29NO — CID 165484839

IUPAC3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)NC(C(C)C)C(C)(C)CO2
InChIInChI=1S/C15H29NO/c1-11(2)13-14(4,5)10-17-15(16-13)8-6-12(3)7-9-15/h11-13,16H,6-10H2,1-5H3
InChIKeySWSIKHURYADFRD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.56
Rot. Bonds1

About 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane

3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane (PubChem CID 165484839) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane
PubChem CID165484839
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)NC(C(C)C)C(C)(C)CO2
InChIInChI=1S/C15H29NO/c1-11(2)13-14(4,5)10-17-15(16-13)8-6-12(3)7-9-15/h11-13,16H,6-10H2,1-5H3
InChIKeySWSIKHURYADFRD-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

14-propan-2-yl-6,11-dioxa-13-azadispiro[3.2.57.24]tetradecane
CID 165487918
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446
2,2,6-trimethylspiro[2.5]octane
CID 149026229
(5S,7S)-3,3,7-trimethyl-1-oxa-4-azaspiro[4.5]decane
CID 23279803
(2S)-3,3-dimethyl-2-propan-2-ylazetidine
CID 124670669
(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
CID 22689161
4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
CID 947571
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
3,9-dimethylspiro[5.5]undecane
CID 20825106
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine
CID 156624881
8-methyl-1-oxa-4-thiaspiro[4.5]decane
CID 12954650

Frequently Asked Questions

What is the IUPAC name of 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane?
The IUPAC name of 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane (CID 165484839) is 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane.
What is the SMILES notation for 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane?
The canonical SMILES for 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane is CC1CCC2(CC1)NC(C(C)C)C(C)(C)CO2.
What is the InChIKey of 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane?
The InChIKey is SWSIKHURYADFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)13-14(4,5)10-17-15(16-13)8-6-12(3)7-9-15/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane?
3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane is sourced from PubChem (CID 165484839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).