(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane

C16H32N2O — CID 144929653

IUPAC(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane
SMILESCCC.C[C@@H]1CN(C2CC3CCC(C2)N3)C[C@H](C)O1
InChIInChI=1S/C13H24N2O.C3H8/c1-9-7-15(8-10(2)16-9)13-5-11-3-4-12(6-13)14-11;1-3-2/h9-14H,3-8H2,1-2H3;3H2,1-2H3/t9-,10+,11?,12?,13?;
InChIKeyKAPOPQYSMIAENT-MDRAYUKYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds1

About (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane

(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane (PubChem CID 144929653) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane.

Molecular Properties

Compound Name(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane
PubChem CID144929653
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane
SMILESCCC.C[C@@H]1CN(C2CC3CCC(C2)N3)C[C@H](C)O1
InChIInChI=1S/C13H24N2O.C3H8/c1-9-7-15(8-10(2)16-9)13-5-11-3-4-12(6-13)14-11;1-3-2/h9-14H,3-8H2,1-2H3;3H2,1-2H3/t9-,10+,11?,12?,13?;
InChIKeyKAPOPQYSMIAENT-MDRAYUKYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane?
The IUPAC name of (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane (CID 144929653) is (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane.
What is the SMILES notation for (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane?
The canonical SMILES for (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane is CCC.C[C@@H]1CN(C2CC3CCC(C2)N3)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane?
The InChIKey is KAPOPQYSMIAENT-MDRAYUKYSA-N. The full InChI is InChI=1S/C13H24N2O.C3H8/c1-9-7-15(8-10(2)16-9)13-5-11-3-4-12(6-13)14-11;1-3-2/h9-14H,3-8H2,1-2H3;3H2,1-2H3/t9-,10+,11?,12?,13?;.
What are the key properties of (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane?
(2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane has a molecular weight of 268.44 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine;propane is sourced from PubChem (CID 144929653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).