3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol

C10H20N2O — CID 165445184

IUPAC3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol
SMILESNCCC1(O)CC2CCCN(C2)C1
InChIInChI=1S/C10H20N2O/c11-4-3-10(13)6-9-2-1-5-12(7-9)8-10/h9,13H,1-8,11H2
InChIKeyVAKVRDGSYGJPFH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.18
Rot. Bonds2

About 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol

3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 165445184) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol
PubChem CID165445184
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol
SMILESNCCC1(O)CC2CCCN(C2)C1
InChIInChI=1S/C10H20N2O/c11-4-3-10(13)6-9-2-1-5-12(7-9)8-10/h9,13H,1-8,11H2
InChIKeyVAKVRDGSYGJPFH-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol (CID 165445184) is 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol is NCCC1(O)CC2CCCN(C2)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is VAKVRDGSYGJPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-4-3-10(13)6-9-2-1-5-12(7-9)8-10/h9,13H,1-8,11H2.
What are the key properties of 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol?
3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 165445184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).