2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

C16H31NO — CID 114497158

IUPAC2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1(CC)CNCC2(CCC(C(C)C)CC2)O1
InChIInChI=1S/C16H31NO/c1-5-15(6-2)11-17-12-16(18-15)9-7-14(8-10-16)13(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyYYJLASAYXOQBJK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 114497158) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID114497158
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1(CC)CNCC2(CCC(C(C)C)CC2)O1
InChIInChI=1S/C16H31NO/c1-5-15(6-2)11-17-12-16(18-15)9-7-14(8-10-16)13(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyYYJLASAYXOQBJK-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (CID 114497158) is 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is CCC1(CC)CNCC2(CCC(C(C)C)CC2)O1.
What is the InChIKey of 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is YYJLASAYXOQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-15(6-2)11-17-12-16(18-15)9-7-14(8-10-16)13(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 253.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 114497158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).