2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide

C13H20N4O — CID 104958905

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H20N4O/c1-8-4-5-16-13(11(8)12(14)15)17-6-9(2)18-10(3)7-17/h4-5,9-10H,6-7H2,1-3H3,(H3,14,15)/t9-,10+
InChIKeyXSXRBGAYFXSIRO-AOOOYVTPSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide (PubChem CID 104958905) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
PubChem CID104958905
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)ccnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H20N4O/c1-8-4-5-16-13(11(8)12(14)15)17-6-9(2)18-10(3)7-17/h4-5,9-10H,6-7H2,1-3H3,(H3,14,15)/t9-,10+
InChIKeyXSXRBGAYFXSIRO-AOOOYVTPSA-N
XLogP1.29
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide (CID 104958905) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)ccnc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The InChIKey is XSXRBGAYFXSIRO-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-4-5-16-13(11(8)12(14)15)17-6-9(2)18-10(3)7-17/h4-5,9-10H,6-7H2,1-3H3,(H3,14,15)/t9-,10+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 104958905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).