7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane

C20H34N2O2 — CID 166552962

IUPAC7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
SMILESCC(C)C1=CNC2(C=C1)COC2.CC(C)C1CCC2(COC2)NC1
InChIInChI=1S/C10H19NO.C10H15NO/c2*1-8(2)9-3-4-10(11-5-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3;3-5,8,11H,6-7H2,1-2H3
InChIKeyUWWBZCCDAWNDOI-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.87
Rot. Bonds2

About 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane

7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane (PubChem CID 166552962) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
PubChem CID166552962
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
SMILESCC(C)C1=CNC2(C=C1)COC2.CC(C)C1CCC2(COC2)NC1
InChIInChI=1S/C10H19NO.C10H15NO/c2*1-8(2)9-3-4-10(11-5-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3;3-5,8,11H,6-7H2,1-2H3
InChIKeyUWWBZCCDAWNDOI-UHFFFAOYSA-N
XLogP2.87
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-Ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
CID 171833488

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane (CID 166552962) is 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane is CC(C)C1=CNC2(C=C1)COC2.CC(C)C1CCC2(COC2)NC1.
What is the InChIKey of 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The InChIKey is UWWBZCCDAWNDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C10H15NO/c2*1-8(2)9-3-4-10(11-5-9)6-12-7-10/h8-9,11H,3-7H2,1-2H3;3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane has a molecular weight of 334.50 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 166552962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).