(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane

C14H27NO — CID 22689161

IUPAC(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C[C@H]1COCC2(CCC(C)CC2)N1
InChIInChI=1S/C14H27NO/c1-11(2)8-13-9-16-10-14(15-13)6-4-12(3)5-7-14/h11-13,15H,4-10H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyIJADKKFUHRPAAL-MOKVOYLWSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds2

About (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane

(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 22689161) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
PubChem CID22689161
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C[C@H]1COCC2(CCC(C)CC2)N1
InChIInChI=1S/C14H27NO/c1-11(2)8-13-9-16-10-14(15-13)6-4-12(3)5-7-14/h11-13,15H,4-10H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyIJADKKFUHRPAAL-MOKVOYLWSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
CID 22689171
(2S)-2-benzyl-9-tert-butyl-4-oxa-1-azaspiro[5.5]undecane
CID 22689173
2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 18720150
3-(2-methylpropyl)morpholine
CID 20811826
2-methyl-7-oxa-1-azaspiro[4.4]nonane
CID 83479109
6-ethyl-2-oxa-5-azaspiro[3.5]nonane
CID 146204488
7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 56766379
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
5-(2-methylpropyl)-1,4-oxazepane
CID 129066958
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
5-(2,2-diphenylethyl)-3,3-dimethylmorpholine
CID 10357167
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270

Frequently Asked Questions

What is the IUPAC name of (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane (CID 22689161) is (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane is CC(C)C[C@H]1COCC2(CCC(C)CC2)N1.
What is the InChIKey of (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is IJADKKFUHRPAAL-MOKVOYLWSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)8-13-9-16-10-14(15-13)6-4-12(3)5-7-14/h11-13,15H,4-10H2,1-3H3/t12?,13-,14?/m0/s1.
What are the key properties of (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
(2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 225.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-methyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 22689161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).