2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane

C13H25NO2 — CID 114497562

IUPAC2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane
SMILESCC(C)C1(C)CNCC2(CCCOCC2)O1
InChIInChI=1S/C13H25NO2/c1-11(2)12(3)9-14-10-13(16-12)5-4-7-15-8-6-13/h11,14H,4-10H2,1-3H3
InChIKeyDRWVQNQUTMSOKZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds1

About 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane

2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane (PubChem CID 114497562) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane
PubChem CID114497562
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane
SMILESCC(C)C1(C)CNCC2(CCCOCC2)O1
InChIInChI=1S/C13H25NO2/c1-11(2)12(3)9-14-10-13(16-12)5-4-7-15-8-6-13/h11,14H,4-10H2,1-3H3
InChIKeyDRWVQNQUTMSOKZ-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497305
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
2-methyl-2-propan-2-yl-1,4-oxazepane
CID 114494521
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
4-ethyl-7-methyl-7-propan-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 114497451
3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
CID 114113999
11-methyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
CID 65213785
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
4-(difluoromethyl)-N-methyloxepan-4-amine
CID 80605984
4,4,6,6-tetramethyl-1,5-oxazocane
CID 59421161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane (CID 114497562) is 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane is CC(C)C1(C)CNCC2(CCCOCC2)O1.
What is the InChIKey of 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane?
The InChIKey is DRWVQNQUTMSOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)12(3)9-14-10-13(16-12)5-4-7-15-8-6-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane?
2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane has a molecular weight of 227.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 114497562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).