(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde

C9H14N2O — CID 135373465

IUPAC(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde
SMILESO=CN1[C@@H]2C[C@H]3CCN(C2)C[C@H]31
InChIInChI=1S/C9H14N2O/c12-6-11-8-3-7-1-2-10(4-8)5-9(7)11/h6-9H,1-5H2/t7-,8-,9-/m1/s1
InChIKeyGOGSKINLSXHYAN-IWSPIJDZSA-N
MW166.22 g/mol
LogP-0.08
Rot. Bonds1

About (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde

(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde (PubChem CID 135373465) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde.

Molecular Properties

Compound Name(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde
PubChem CID135373465
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde
SMILESO=CN1[C@@H]2C[C@H]3CCN(C2)C[C@H]31
InChIInChI=1S/C9H14N2O/c12-6-11-8-3-7-1-2-10(4-8)5-9(7)11/h6-9H,1-5H2/t7-,8-,9-/m1/s1
InChIKeyGOGSKINLSXHYAN-IWSPIJDZSA-N
XLogP-0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-azabicyclo[2.2.1]heptane-3-carbaldehyde
CID 93499420
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone
CID 118576755
[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazepan-1-yl] formate
CID 142774582
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbaldehyde
CID 64992278
1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
CID 65244845
2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone
CID 131859028
1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
CID 79396612
(3R,4R)-1-azabicyclo[2.2.1]heptane-3-carboxylic acid;hydrobromide
CID 67402613
3-(1-azabicyclo[2.2.2]octan-3-yl)-3-oxopropanal
CID 19432884
2-(2-adamantyl)-N-[2-(1-azabicyclo[2.2.2]octan-3-yl)-1-oxoisoquinolin-5-yl]acetamide
CID 69022173

Frequently Asked Questions

What is the IUPAC name of (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde?
The IUPAC name of (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde (CID 135373465) is (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde.
What is the SMILES notation for (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde?
The canonical SMILES for (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde is O=CN1[C@@H]2C[C@H]3CCN(C2)C[C@H]31.
What is the InChIKey of (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde?
The InChIKey is GOGSKINLSXHYAN-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H14N2O/c12-6-11-8-3-7-1-2-10(4-8)5-9(7)11/h6-9H,1-5H2/t7-,8-,9-/m1/s1.
What are the key properties of (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde?
(1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,8S)-6,9-diazatricyclo[4.3.1.03,8]decane-9-carbaldehyde is sourced from PubChem (CID 135373465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).