(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane

C15H29NO — CID 122598469

IUPAC(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)[C@H]1COCC[C@]12CCCCN2C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)14-11-17-10-8-15(14)7-5-6-9-16(15)13(3)4/h12-14H,5-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyNCTPULHUAIOKKO-HUUCEWRRSA-N
MW239.40 g/mol
LogP3.31
Rot. Bonds2

About (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane

(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane (PubChem CID 122598469) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane
PubChem CID122598469
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)[C@H]1COCC[C@]12CCCCN2C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)14-11-17-10-8-15(14)7-5-6-9-16(15)13(3)4/h12-14H,5-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyNCTPULHUAIOKKO-HUUCEWRRSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane (CID 122598469) is (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane is CC(C)[C@H]1COCC[C@]12CCCCN2C(C)C.
What is the InChIKey of (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane?
The InChIKey is NCTPULHUAIOKKO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-11-17-10-8-15(14)7-5-6-9-16(15)13(3)4/h12-14H,5-11H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane?
(6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane has a molecular weight of 239.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-1,11-di(propan-2-yl)-9-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 122598469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).