7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane

C13H25NO — CID 58185359

IUPAC7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1CC2(CCCO2)CN1C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12-8-13(6-5-7-15-13)9-14(12)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyUCCVDXUIAYSUNK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.67
Rot. Bonds2

About 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane

7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 58185359) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID58185359
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1CC2(CCCO2)CN1C(C)C
InChIInChI=1S/C13H25NO/c1-10(2)12-8-13(6-5-7-15-13)9-14(12)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyUCCVDXUIAYSUNK-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane (CID 58185359) is 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane is CC(C)C1CC2(CCCO2)CN1C(C)C.
What is the InChIKey of 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is UCCVDXUIAYSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12-8-13(6-5-7-15-13)9-14(12)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 211.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 58185359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).