3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol

C10H20N2O2 — CID 117050387

IUPAC3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol
SMILESOCC(O)CN1CC2CCC1CCN2
InChIInChI=1S/C10H20N2O2/c13-7-10(14)6-12-5-8-1-2-9(12)3-4-11-8/h8-11,13-14H,1-7H2
InChIKeyIQRBHJAEDBKDJD-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.83
Rot. Bonds3

About 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol

3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol (PubChem CID 117050387) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol
PubChem CID117050387
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol
SMILESOCC(O)CN1CC2CCC1CCN2
InChIInChI=1S/C10H20N2O2/c13-7-10(14)6-12-5-8-1-2-9(12)3-4-11-8/h8-11,13-14H,1-7H2
InChIKeyIQRBHJAEDBKDJD-UHFFFAOYSA-N
XLogP-0.83
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol 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

3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol
CID 117050882
1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
CID 130860086
3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
CID 82850214
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475
1-(2,3-dihydroxypropyl)aziridine-2-carboxamide
CID 142680209
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propane-1,2-diol
CID 115773027
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoropropan-2-ol
CID 131005722
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
CID 130595131
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-3-methylbutan-2-one
CID 134237193
1-(2,3-dihydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 82849638

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol?
The IUPAC name of 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol (CID 117050387) is 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol?
The canonical SMILES for 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol is OCC(O)CN1CC2CCC1CCN2.
What is the InChIKey of 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol?
The InChIKey is IQRBHJAEDBKDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-10(14)6-12-5-8-1-2-9(12)3-4-11-8/h8-11,13-14H,1-7H2.
What are the key properties of 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol?
3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol has a molecular weight of 200.28 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol is sourced from PubChem (CID 117050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).