[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine

C13H21N3O — CID 104959500

IUPAC[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H21N3O/c1-9-4-12(5-14)6-15-13(9)16-7-10(2)17-11(3)8-16/h4,6,10-11H,5,7-8,14H2,1-3H3/t10-,11+
InChIKeyVTWFKQIJYXESQP-PHIMTYICSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds2

About [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine

[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine (PubChem CID 104959500) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine
PubChem CID104959500
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H21N3O/c1-9-4-12(5-14)6-15-13(9)16-7-10(2)17-11(3)8-16/h4,6,10-11H,5,7-8,14H2,1-3H3/t10-,11+
InChIKeyVTWFKQIJYXESQP-PHIMTYICSA-N
XLogP1.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
[6-(4-ethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80630113
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630672
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79885912
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 102544924
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
CID 80628844
[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80635459

Frequently Asked Questions

What is the IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine (CID 104959500) is [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine?
The InChIKey is VTWFKQIJYXESQP-PHIMTYICSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-12(5-14)6-15-13(9)16-7-10(2)17-11(3)8-16/h4,6,10-11H,5,7-8,14H2,1-3H3/t10-,11+.
What are the key properties of [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine?
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 104959500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).