3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride

C10H22Cl2N2O — CID 67571700

IUPAC3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2CCCO
InChIInChI=1S/C10H20N2O.2ClH/c11-8-6-9-2-3-10(7-8)12(9)4-1-5-13;;/h8-10,13H,1-7,11H2;2*1H
InChIKeyNGRGQNJFFFDSFU-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.17
Rot. Bonds3

About 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride (PubChem CID 67571700) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
PubChem CID67571700
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2CCCO
InChIInChI=1S/C10H20N2O.2ClH/c11-8-6-9-2-3-10(7-8)12(9)4-1-5-13;;/h8-10,13H,1-7,11H2;2*1H
InChIKeyNGRGQNJFFFDSFU-UHFFFAOYSA-N
XLogP1.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride?
The IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride (CID 67571700) is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride.
What is the SMILES notation for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride?
The canonical SMILES for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride is Cl.Cl.NC1CC2CCC(C1)N2CCCO.
What is the InChIKey of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride?
The InChIKey is NGRGQNJFFFDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c11-8-6-9-2-3-10(7-8)12(9)4-1-5-13;;/h8-10,13H,1-7,11H2;2*1H.
What are the key properties of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride?
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride is sourced from PubChem (CID 67571700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).