3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol

C9H18N2O — CID 105434577

IUPAC3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol
SMILESNCCC1(O)CC2CCN(C2)C1
InChIInChI=1S/C9H18N2O/c10-3-2-9(12)5-8-1-4-11(6-8)7-9/h8,12H,1-7,10H2
InChIKeyHVYWJDHXVDCVDM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.21
Rot. Bonds2

About 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol

3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol (PubChem CID 105434577) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol
PubChem CID105434577
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol
SMILESNCCC1(O)CC2CCN(C2)C1
InChIInChI=1S/C9H18N2O/c10-3-2-9(12)5-8-1-4-11(6-8)7-9/h8,12H,1-7,10H2
InChIKeyHVYWJDHXVDCVDM-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol (CID 105434577) is 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol is NCCC1(O)CC2CCN(C2)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HVYWJDHXVDCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-3-2-9(12)5-8-1-4-11(6-8)7-9/h8,12H,1-7,10H2.
What are the key properties of 3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol?
3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.21, 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[3.2.1]octan-3-ol is sourced from PubChem (CID 105434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).