1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine

C13H21N3O — CID 105072641

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H21N3O/c1-10-8-16(9-11(2)17-10)13-7-15-5-4-12(13)6-14-3/h4-5,7,10-11,14H,6,8-9H2,1-3H3
InChIKeyNMFVIQREZORDLG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds3

About 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105072641) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105072641
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H21N3O/c1-10-8-16(9-11(2)17-10)13-7-15-5-4-12(13)6-14-3/h4-5,7,10-11,14H,6,8-9H2,1-3H3
InChIKeyNMFVIQREZORDLG-UHFFFAOYSA-N
XLogP1.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine (CID 105072641) is 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1N1CC(C)OC(C)C1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is NMFVIQREZORDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-16(9-11(2)17-10)13-7-15-5-4-12(13)6-14-3/h4-5,7,10-11,14H,6,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105072641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).