2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol

C10H20N2O — CID 29082744

IUPAC2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol
SMILESCN1[C@@H]2CC[C@H]1CC(NCCO)C2
InChIInChI=1S/C10H20N2O/c1-12-9-2-3-10(12)7-8(6-9)11-4-5-13/h8-11,13H,2-7H2,1H3/t8?,9-,10+
InChIKeySQMSMIURPZMUHX-PBINXNQUSA-N
MW184.28 g/mol
LogP0.19
Rot. Bonds3

About 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol

2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol (PubChem CID 29082744) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol
PubChem CID29082744
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol
SMILESCN1[C@@H]2CC[C@H]1CC(NCCO)C2
InChIInChI=1S/C10H20N2O/c1-12-9-2-3-10(12)7-8(6-9)11-4-5-13/h8-11,13H,2-7H2,1H3/t8?,9-,10+
InChIKeySQMSMIURPZMUHX-PBINXNQUSA-N
XLogP0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol?
The IUPAC name of 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol (CID 29082744) is 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol is CN1[C@@H]2CC[C@H]1CC(NCCO)C2.
What is the InChIKey of 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol?
The InChIKey is SQMSMIURPZMUHX-PBINXNQUSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-9-2-3-10(12)7-8(6-9)11-4-5-13/h8-11,13H,2-7H2,1H3/t8?,9-,10+.
What are the key properties of 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol?
2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]ethanol is sourced from PubChem (CID 29082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).