4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride

C16H33Cl2N3O — CID 154906481

IUPAC4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-16(2,12-18-5-7-20-8-6-18)13-19-11-14-3-4-15(19)10-17-9-14;;/h14-15,17H,3-13H2,1-2H3;2*1H/t14-,15+;;/m1../s1
InChIKeyVCJIYNMJFSXBGI-AMTWEWDESA-N
MW354.37 g/mol
LogP1.87
Rot. Bonds4

About 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride

4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride (PubChem CID 154906481) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
PubChem CID154906481
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC Name4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-16(2,12-18-5-7-20-8-6-18)13-19-11-14-3-4-15(19)10-17-9-14;;/h14-15,17H,3-13H2,1-2H3;2*1H/t14-,15+;;/m1../s1
InChIKeyVCJIYNMJFSXBGI-AMTWEWDESA-N
XLogP1.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[2,2-dimethyl-3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]propyl]morpholine
CID 72919019
4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
CID 154906371
8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673724
(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809012
2-(3-bromo-2,2-dimethylpropyl)-2-azabicyclo[2.2.2]octane
CID 130595145
(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
CID 72841268
(3aS,6aR)-5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
CID 56912722
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The IUPAC name of 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride (CID 154906481) is 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride is CC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl.
What is the InChIKey of 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The InChIKey is VCJIYNMJFSXBGI-AMTWEWDESA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-16(2,12-18-5-7-20-8-6-18)13-19-11-14-3-4-15(19)10-17-9-14;;/h14-15,17H,3-13H2,1-2H3;2*1H/t14-,15+;;/m1../s1.
What are the key properties of 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride is sourced from PubChem (CID 154906481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).