3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde

C12H21NO — CID 23564133

IUPAC3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCC1CC(C)C2CN(C)CC1C2C=O
InChIInChI=1S/C12H21NO/c1-8-4-9(2)11-6-13(3)5-10(8)12(11)7-14/h7-12H,4-6H2,1-3H3
InChIKeyGXDSAVYTHHJSHY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.66
Rot. Bonds1

About 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde

3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde (PubChem CID 23564133) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde.

Molecular Properties

Compound Name3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
PubChem CID23564133
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCC1CC(C)C2CN(C)CC1C2C=O
InChIInChI=1S/C12H21NO/c1-8-4-9(2)11-6-13(3)5-10(8)12(11)7-14/h7-12H,4-6H2,1-3H3
InChIKeyGXDSAVYTHHJSHY-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The IUPAC name of 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde (CID 23564133) is 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde.
What is the SMILES notation for 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The canonical SMILES for 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde is CC1CC(C)C2CN(C)CC1C2C=O.
What is the InChIKey of 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The InChIKey is GXDSAVYTHHJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-4-9(2)11-6-13(3)5-10(8)12(11)7-14/h7-12H,4-6H2,1-3H3.
What are the key properties of 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde is sourced from PubChem (CID 23564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).