1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol

C9H18N2O — CID 141032628

IUPAC1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol
SMILESCC(O)N1CC2CNCC(C2)C1
InChIInChI=1S/C9H18N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h7-10,12H,2-6H2,1H3
InChIKeyGYUVCBKUTMTVBE-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.13
Rot. Bonds1

About 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol

1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol (PubChem CID 141032628) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol
PubChem CID141032628
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol
SMILESCC(O)N1CC2CNCC(C2)C1
InChIInChI=1S/C9H18N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h7-10,12H,2-6H2,1H3
InChIKeyGYUVCBKUTMTVBE-UHFFFAOYSA-N
XLogP-0.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol with MolForge

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Related Compounds

3-propan-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 102547987
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
(2S)-2-amino-1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)-4-methylpentan-1-one
CID 134857624
(1S,5S)-3-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98469877
3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
CID 170375113
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
1-(3-azabicyclo[3.3.1]nonan-7-yl)-2-methylpropan-1-one
CID 25098133
1-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]ethanone
CID 58488076
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
CID 54036379
1-[3,5-bis(1-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol;hydron
CID 175286137
1-(azetidin-3-yl)ethanol;hydrochloride
CID 118703436

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol?
The IUPAC name of 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol (CID 141032628) is 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol.
What is the SMILES notation for 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol?
The canonical SMILES for 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol is CC(O)N1CC2CNCC(C2)C1.
What is the InChIKey of 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol?
The InChIKey is GYUVCBKUTMTVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol?
1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanol is sourced from PubChem (CID 141032628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).