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

C13H21N3O — CID 81246251

IUPAC[4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CC(C)OCC2C)c(CN)cn1
InChIInChI=1S/C13H21N3O/c1-9-4-13(12(5-14)6-15-9)16-7-11(3)17-8-10(16)2/h4,6,10-11H,5,7-8,14H2,1-3H3
InChIKeyZSBAZOLZZSNYNN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds2

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

[4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81246251) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine
PubChem CID81246251
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(N2CC(C)OCC2C)c(CN)cn1
InChIInChI=1S/C13H21N3O/c1-9-4-13(12(5-14)6-15-9)16-7-11(3)17-8-10(16)2/h4,6,10-11H,5,7-8,14H2,1-3H3
InChIKeyZSBAZOLZZSNYNN-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine (CID 81246251) is [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine is Cc1cc(N2CC(C)OCC2C)c(CN)cn1.
What is the InChIKey of [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is ZSBAZOLZZSNYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-13(12(5-14)6-15-9)16-7-11(3)17-8-10(16)2/h4,6,10-11H,5,7-8,14H2,1-3H3.
What are the key properties of [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine?
[4-(2,5-dimethylmorpholin-4-yl)-6-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 [4-(2,5-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81246251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).