(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

C16H31N3O2 — CID 97087177

IUPAC(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)N(C)CCN2CCCC2)C[C@@H](C)O1
InChIInChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)16(20)15(3)17(4)9-10-18-7-5-6-8-18/h13-15H,5-12H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyOPDMIPYESAZPME-RBSFLKMASA-N
MW297.44 g/mol
LogP1.04
Rot. Bonds5

About (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (PubChem CID 97087177) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
PubChem CID97087177
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)N(C)CCN2CCCC2)C[C@@H](C)O1
InChIInChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)16(20)15(3)17(4)9-10-18-7-5-6-8-18/h13-15H,5-12H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyOPDMIPYESAZPME-RBSFLKMASA-N
XLogP1.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (CID 97087177) is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The canonical SMILES for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)N(C)CCN2CCCC2)C[C@@H](C)O1.
What is the InChIKey of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The InChIKey is OPDMIPYESAZPME-RBSFLKMASA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-11-19(12-14(2)21-13)16(20)15(3)17(4)9-10-18-7-5-6-8-18/h13-15H,5-12H2,1-4H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one has a molecular weight of 297.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is sourced from PubChem (CID 97087177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).