1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde

C12H21NO — CID 18670489

IUPAC1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCN1CC2(C)CCCC(C)(C1)C2C=O
InChIInChI=1S/C12H21NO/c1-11-5-4-6-12(2,10(11)7-14)9-13(3)8-11/h7,10H,4-6,8-9H2,1-3H3
InChIKeyXWUUKKKZFYKHSM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds1

About 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde

1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde (PubChem CID 18670489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde.

Molecular Properties

Compound Name1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
PubChem CID18670489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
SMILESCN1CC2(C)CCCC(C)(C1)C2C=O
InChIInChI=1S/C12H21NO/c1-11-5-4-6-12(2,10(11)7-14)9-13(3)8-11/h7,10H,4-6,8-9H2,1-3H3
InChIKeyXWUUKKKZFYKHSM-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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

(9R)-3-acetyl-1-ethyl-5-methyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
CID 134861394
4-Cyclohexyl-1-methylpiperidine-4-carbaldehyde
CID 23388595
3,6,8-Trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
CID 23564133
3-Methyl-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 58101767
(6R,8R)-3,6,8-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde
CID 88036485
1-[(4-Tert-butylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 55050732
1-[(3-Ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 55051262
1-[(3,5-Dimethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 55051307
1-[(4-Methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62275979
1-[(3-Methylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62275980
1-[(4-Ethylpiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62277038
1-(Azocan-1-ylmethyl)-3-methylcyclohexane-1-carbaldehyde
CID 65921503

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The IUPAC name of 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde (CID 18670489) is 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde.
What is the SMILES notation for 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The canonical SMILES for 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde is CN1CC2(C)CCCC(C)(C1)C2C=O.
What is the InChIKey of 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
The InChIKey is XWUUKKKZFYKHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11-5-4-6-12(2,10(11)7-14)9-13(3)8-11/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde?
1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-3-azabicyclo[3.3.1]nonane-9-carbaldehyde is sourced from PubChem (CID 18670489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).