3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal

C13H23NO — CID 130643090

IUPAC3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC2(CCC2)CC1
InChIInChI=1S/C13H23NO/c1-12(2,11-15)10-14-8-6-13(7-9-14)4-3-5-13/h11H,3-10H2,1-2H3
InChIKeyXSFACXSBOYOTFI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds3

About 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal

3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal (PubChem CID 130643090) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
PubChem CID130643090
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC2(CCC2)CC1
InChIInChI=1S/C13H23NO/c1-12(2,11-15)10-14-8-6-13(7-9-14)4-3-5-13/h11H,3-10H2,1-2H3
InChIKeyXSFACXSBOYOTFI-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal?
The IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal (CID 130643090) is 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal?
The canonical SMILES for 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal is CC(C)(C=O)CN1CCC2(CCC2)CC1.
What is the InChIKey of 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal?
The InChIKey is XSFACXSBOYOTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,11-15)10-14-8-6-13(7-9-14)4-3-5-13/h11H,3-10H2,1-2H3.
What are the key properties of 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal?
3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal has a molecular weight of 209.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal is sourced from PubChem (CID 130643090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).