1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine

C11H18N2O — CID 55296912

IUPAC1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(N)C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-7(2)11(12)9-6-13-10(14-4)5-8(9)3/h5-7,11H,12H2,1-4H3
InChIKeyBAQMSTARHVLCOS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine

1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine (PubChem CID 55296912) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine
PubChem CID55296912
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(N)C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-7(2)11(12)9-6-13-10(14-4)5-8(9)3/h5-7,11H,12H2,1-4H3
InChIKeyBAQMSTARHVLCOS-UHFFFAOYSA-N
XLogP2.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine (CID 55296912) is 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine is COc1cc(C)c(C(N)C(C)C)cn1.
What is the InChIKey of 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is BAQMSTARHVLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)11(12)9-6-13-10(14-4)5-8(9)3/h5-7,11H,12H2,1-4H3.
What are the key properties of 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine?
1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55296912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).