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

C11H22N2O — CID 164821484

IUPAC(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine
SMILESCO[C@H]1C[C@@H]2CC[C@H]([C@@H]1N)N2C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)13-8-4-5-9(13)11(12)10(6-8)14-3/h7-11H,4-6,12H2,1-3H3/t8-,9+,10-,11-/m0/s1
InChIKeyMAJNZGMIBSOYPM-VLEAKVRGSA-N
MW198.31 g/mol
LogP0.97
Rot. Bonds2

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

(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine (PubChem CID 164821484) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound Name(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine
PubChem CID164821484
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine
SMILESCO[C@H]1C[C@@H]2CC[C@H]([C@@H]1N)N2C(C)C
InChIInChI=1S/C11H22N2O/c1-7(2)13-8-4-5-9(13)11(12)10(6-8)14-3/h7-11H,4-6,12H2,1-3H3/t8-,9+,10-,11-/m0/s1
InChIKeyMAJNZGMIBSOYPM-VLEAKVRGSA-N
XLogP0.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine?
The IUPAC name of (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine (CID 164821484) is (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine is CO[C@H]1C[C@@H]2CC[C@H]([C@@H]1N)N2C(C)C.
What is the InChIKey of (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine?
The InChIKey is MAJNZGMIBSOYPM-VLEAKVRGSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)13-8-4-5-9(13)11(12)10(6-8)14-3/h7-11H,4-6,12H2,1-3H3/t8-,9+,10-,11-/m0/s1.
What are the key properties of (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine?
(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine has a molecular weight of 198.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 164821484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).