(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane

C13H25NO — CID 122597278

IUPAC(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane
SMILESCC[C@H]1CCOC[C@]12CCCCN2CC
InChIInChI=1S/C13H25NO/c1-3-12-7-10-15-11-13(12)8-5-6-9-14(13)4-2/h12H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyVBTCNMUJVQYWPH-QWHCGFSZSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds2

About (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane

(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane (PubChem CID 122597278) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane
PubChem CID122597278
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane
SMILESCC[C@H]1CCOC[C@]12CCCCN2CC
InChIInChI=1S/C13H25NO/c1-3-12-7-10-15-11-13(12)8-5-6-9-14(13)4-2/h12H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyVBTCNMUJVQYWPH-QWHCGFSZSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane (CID 122597278) is (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane is CC[C@H]1CCOC[C@]12CCCCN2CC.
What is the InChIKey of (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane?
The InChIKey is VBTCNMUJVQYWPH-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12-7-10-15-11-13(12)8-5-6-9-14(13)4-2/h12H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane?
(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane has a molecular weight of 211.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 122597278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).