(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine

C10H20N2O — CID 70194105

IUPAC(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C10H20N2O/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3/t8?,9-,10+
InChIKeyBRABITSTNVWVQJ-PBINXNQUSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds3

About (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 70194105) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID70194105
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C10H20N2O/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3/t8?,9-,10+
InChIKeyBRABITSTNVWVQJ-PBINXNQUSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 70194105) is (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine is COCCN1[C@@H]2CC[C@H]1CC(N)C2.
What is the InChIKey of (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BRABITSTNVWVQJ-PBINXNQUSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7,11H2,1H3/t8?,9-,10+.
What are the key properties of (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 70194105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).