1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine

C11H16N2O2 — CID 65351256

IUPAC1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)C2COCCO2)cn1
InChIInChI=1S/C11H16N2O2/c1-8-2-3-9(6-13-8)11(12)10-7-14-4-5-15-10/h2-3,6,10-11H,4-5,7,12H2,1H3
InChIKeyGXQIRVZELFLOKF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.81
Rot. Bonds2

About 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine

1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine (PubChem CID 65351256) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
PubChem CID65351256
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)C2COCCO2)cn1
InChIInChI=1S/C11H16N2O2/c1-8-2-3-9(6-13-8)11(12)10-7-14-4-5-15-10/h2-3,6,10-11H,4-5,7,12H2,1H3
InChIKeyGXQIRVZELFLOKF-UHFFFAOYSA-N
XLogP0.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 79667032
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 62798687
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
CID 65352820
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 115825275
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
CID 62804713
[(6-methyl-3-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105305482
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
1,4-dioxan-2-yl-(5-ethylfuran-2-yl)methanamine
CID 62804530
(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115386698

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine (CID 65351256) is 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)C2COCCO2)cn1.
What is the InChIKey of 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is GXQIRVZELFLOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-2-3-9(6-13-8)11(12)10-7-14-4-5-15-10/h2-3,6,10-11H,4-5,7,12H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine?
1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 65351256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).