3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde

C12H21NO — CID 58101767

IUPAC3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde
SMILESCN1CCC2(CCC(C=O)CC2)CC1
InChIInChI=1S/C12H21NO/c1-13-8-6-12(7-9-13)4-2-11(10-14)3-5-12/h10-11H,2-9H2,1H3
InChIKeyHQUJUPJDOYYXKN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds1

About 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde

3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 58101767) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound Name3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde
PubChem CID58101767
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde
SMILESCN1CCC2(CCC(C=O)CC2)CC1
InChIInChI=1S/C12H21NO/c1-13-8-6-12(7-9-13)4-2-11(10-14)3-5-12/h10-11H,2-9H2,1H3
InChIKeyHQUJUPJDOYYXKN-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Dimethylamino)methyl]cyclohexanecarbaldehyde
CID 12927831
1-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65530270
1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65532212
4-Methyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 65906611
4-Methyl-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65906621
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 65907610
4-Methyl-1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 65907622
4-Methyl-1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 65907810
4-Methyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65907820
4-Methyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65907821
3-Methyl-1-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65922739
3-Methyl-1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 65922740

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde (CID 58101767) is 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde is CN1CCC2(CCC(C=O)CC2)CC1.
What is the InChIKey of 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is HQUJUPJDOYYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-8-6-12(7-9-13)4-2-11(10-14)3-5-12/h10-11H,2-9H2,1H3.
What are the key properties of 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde?
3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 58101767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).