5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane

C15H30N2O — CID 171407041

IUPAC5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)CN1CCN(C(C)(C)C)C2(COC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2,3)9-16-7-8-17(14(4,5)6)15(10-16)11-18-12-15/h7-12H2,1-6H3
InChIKeyPOJBGXNXQRUSJR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds1

About 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane

5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane (PubChem CID 171407041) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane
PubChem CID171407041
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)CN1CCN(C(C)(C)C)C2(COC2)C1
InChIInChI=1S/C15H30N2O/c1-13(2,3)9-16-7-8-17(14(4,5)6)15(10-16)11-18-12-15/h7-12H2,1-6H3
InChIKeyPOJBGXNXQRUSJR-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane?
The IUPAC name of 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane (CID 171407041) is 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane is CC(C)(C)CN1CCN(C(C)(C)C)C2(COC2)C1.
What is the InChIKey of 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane?
The InChIKey is POJBGXNXQRUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2,3)9-16-7-8-17(14(4,5)6)15(10-16)11-18-12-15/h7-12H2,1-6H3.
What are the key properties of 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane?
5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane has a molecular weight of 254.42 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-8-(2,2-dimethylpropyl)-2-oxa-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 171407041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).