(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane

C17H33NO — CID 22689171

IUPAC(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C[C@H]1COCC2(CCC(C(C)(C)C)CC2)N1
InChIInChI=1S/C17H33NO/c1-13(2)10-15-11-19-12-17(18-15)8-6-14(7-9-17)16(3,4)5/h13-15,18H,6-12H2,1-5H3/t14?,15-,17?/m0/s1
InChIKeyZOXGUEPNFSQLDP-CKDBGZEDSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds2

About (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane

(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 22689171) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
PubChem CID22689171
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCC(C)C[C@H]1COCC2(CCC(C(C)(C)C)CC2)N1
InChIInChI=1S/C17H33NO/c1-13(2)10-15-11-19-12-17(18-15)8-6-14(7-9-17)16(3,4)5/h13-15,18H,6-12H2,1-5H3/t14?,15-,17?/m0/s1
InChIKeyZOXGUEPNFSQLDP-CKDBGZEDSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane (CID 22689171) is (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane is CC(C)C[C@H]1COCC2(CCC(C(C)(C)C)CC2)N1.
What is the InChIKey of (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is ZOXGUEPNFSQLDP-CKDBGZEDSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)10-15-11-19-12-17(18-15)8-6-14(7-9-17)16(3,4)5/h13-15,18H,6-12H2,1-5H3/t14?,15-,17?/m0/s1.
What are the key properties of (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane?
(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 267.46 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 22689171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).