(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine

C15H24N2O — CID 71155007

IUPAC(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCCC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C15H24N2O/c1-5-11(2)14-6-7-15(16-8-14)17-9-12(3)18-13(4)10-17/h6-8,11-13H,5,9-10H2,1-4H3/t11?,12-,13+
InChIKeyNKRDZLQKOXLLSU-YHWZYXNKSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds3

About (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine

(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine (PubChem CID 71155007) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
PubChem CID71155007
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
SMILESCCC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C15H24N2O/c1-5-11(2)14-6-7-15(16-8-14)17-9-12(3)18-13(4)10-17/h6-8,11-13H,5,9-10H2,1-4H3/t11?,12-,13+
InChIKeyNKRDZLQKOXLLSU-YHWZYXNKSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine (CID 71155007) is (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine is CCC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1.
What is the InChIKey of (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
The InChIKey is NKRDZLQKOXLLSU-YHWZYXNKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-11(2)14-6-7-15(16-8-14)17-9-12(3)18-13(4)10-17/h6-8,11-13H,5,9-10H2,1-4H3/t11?,12-,13+.
What are the key properties of (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 71155007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).