3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine

C11H18N2O — CID 83830807

IUPAC3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cnc(C)cc1C
InChIInChI=1S/C11H18N2O/c1-8-6-9(2)13-7-10(8)11(14-3)4-5-12/h6-7,11H,4-5,12H2,1-3H3
InChIKeyDEGLGKJJLNROHG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.73
Rot. Bonds4

About 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine

3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine (PubChem CID 83830807) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine
PubChem CID83830807
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine
SMILESCOC(CCN)c1cnc(C)cc1C
InChIInChI=1S/C11H18N2O/c1-8-6-9(2)13-7-10(8)11(14-3)4-5-12/h6-7,11H,4-5,12H2,1-3H3
InChIKeyDEGLGKJJLNROHG-UHFFFAOYSA-N
XLogP1.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine (CID 83830807) is 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine is COC(CCN)c1cnc(C)cc1C.
What is the InChIKey of 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine?
The InChIKey is DEGLGKJJLNROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-9(2)13-7-10(8)11(14-3)4-5-12/h6-7,11H,4-5,12H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine?
3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-3-pyridinyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 83830807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).