[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine

C13H21N3O2 — CID 114782322

IUPAC[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCOc1cccc(N2CC(CN)OC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-13(2)9-16(8-10(7-14)18-13)11-5-4-6-12(15-11)17-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyAJYDHGHFKMKHIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.03
Rot. Bonds3

About [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine

[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine (PubChem CID 114782322) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
PubChem CID114782322
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCOc1cccc(N2CC(CN)OC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-13(2)9-16(8-10(7-14)18-13)11-5-4-6-12(15-11)17-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyAJYDHGHFKMKHIC-UHFFFAOYSA-N
XLogP1.03
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine (CID 114782322) is [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine is COc1cccc(N2CC(CN)OC(C)(C)C2)n1.
What is the InChIKey of [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine?
The InChIKey is AJYDHGHFKMKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2)9-16(8-10(7-14)18-13)11-5-4-6-12(15-11)17-3/h4-6,10H,7-9,14H2,1-3H3.
What are the key properties of [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine?
[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).