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

C16H31NO — CID 114497214

IUPAC2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CC1)CNCC(CC)(CC)O2
InChIInChI=1S/C16H31NO/c1-4-7-14-8-10-16(11-9-14)13-17-12-15(5-2,6-3)18-16/h14,17H,4-13H2,1-3H3
InChIKeyKAQQOKPRNPBFDN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds4

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

2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 114497214) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID114497214
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CC1)CNCC(CC)(CC)O2
InChIInChI=1S/C16H31NO/c1-4-7-14-8-10-16(11-9-14)13-17-12-15(5-2,6-3)18-16/h14,17H,4-13H2,1-3H3
InChIKeyKAQQOKPRNPBFDN-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
CID 114497158
7-ethyl-7-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210774
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732
2-ethyl-9-propyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122152
2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
CID 114497122
11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
CID 65213736
2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497172
2,2,6-triethyl-6-methylmorpholine
CID 114494557
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
CID 79126868
11-(2-methylbutan-2-yl)-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213640
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
7-propylspiro[3.5]nonane
CID 144910869

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane (CID 114497214) is 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane is CCCC1CCC2(CC1)CNCC(CC)(CC)O2.
What is the InChIKey of 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is KAQQOKPRNPBFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-7-14-8-10-16(11-9-14)13-17-12-15(5-2,6-3)18-16/h14,17H,4-13H2,1-3H3.
What are the key properties of 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane?
2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 253.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-9-propyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 114497214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).