2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol

C10H21N2O+ — CID 54107698

IUPAC2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol
SMILESC[N+]1(CCO)C2CCC1CC(N)C2
InChIInChI=1S/C10H21N2O/c1-12(4-5-13)9-2-3-10(12)7-8(11)6-9/h8-10,13H,2-7,11H2,1H3/q+1
InChIKeyXNMZMSAOVMRCKZ-UHFFFAOYSA-N
MW185.29 g/mol
LogP0.08
Rot. Bonds2

About 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol

2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol (PubChem CID 54107698) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol
PubChem CID54107698
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol
SMILESC[N+]1(CCO)C2CCC1CC(N)C2
InChIInChI=1S/C10H21N2O/c1-12(4-5-13)9-2-3-10(12)7-8(11)6-9/h8-10,13H,2-7,11H2,1H3/q+1
InChIKeyXNMZMSAOVMRCKZ-UHFFFAOYSA-N
XLogP0.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol?
The IUPAC name of 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol (CID 54107698) is 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol.
What is the SMILES notation for 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol?
The canonical SMILES for 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol is C[N+]1(CCO)C2CCC1CC(N)C2.
What is the InChIKey of 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol?
The InChIKey is XNMZMSAOVMRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-12(4-5-13)9-2-3-10(12)7-8(11)6-9/h8-10,13H,2-7,11H2,1H3/q+1.
What are the key properties of 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol?
2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol has a molecular weight of 185.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)ethanol is sourced from PubChem (CID 54107698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).