9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol

C11H21NO — CID 115016567

IUPAC9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
SMILESNCCC1C2CCCC1CC(O)C2
InChIInChI=1S/C11H21NO/c12-5-4-11-8-2-1-3-9(11)7-10(13)6-8/h8-11,13H,1-7,12H2
InChIKeyGWLJLWBANBGEDP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.52
Rot. Bonds2

About 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol

9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol (PubChem CID 115016567) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
PubChem CID115016567
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
SMILESNCCC1C2CCCC1CC(O)C2
InChIInChI=1S/C11H21NO/c12-5-4-11-8-2-1-3-9(11)7-10(13)6-8/h8-11,13H,1-7,12H2
InChIKeyGWLJLWBANBGEDP-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-fluorobicyclo[3.3.1]nonan-3-ol
CID 129413468
(1S,5S)-9-fluorobicyclo[3.3.1]nonan-3-ol
CID 129413467
2-(9-bicyclo[3.3.1]nonanyl)ethanol
CID 57279526
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
CID 115013879
2-(2-cyclopentylcyclopropyl)ethanamine
CID 83826413
2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 139364896
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
4-(2-aminoethyl)piperidine-3,5-diol
CID 82652211
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol (CID 115016567) is 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol is NCCC1C2CCCC1CC(O)C2.
What is the InChIKey of 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol?
The InChIKey is GWLJLWBANBGEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-5-4-11-8-2-1-3-9(11)7-10(13)6-8/h8-11,13H,1-7,12H2.
What are the key properties of 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol?
9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 115016567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).