(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

C11H18N2O — CID 70179765

IUPAC(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCOC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C11H18N2O/c1-13-8-10(5-3-4-6-12)7-11(9-13)14-2/h3,5,7-8H,4,6,9,12H2,1-2H3/b5-3+
InChIKeyRMBWHNBAVZCFGN-HWKANZROSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds4

About (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 70179765) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID70179765
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCOC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C11H18N2O/c1-13-8-10(5-3-4-6-12)7-11(9-13)14-2/h3,5,7-8H,4,6,9,12H2,1-2H3/b5-3+
InChIKeyRMBWHNBAVZCFGN-HWKANZROSA-N
XLogP1.25
TPSA38.49 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 70179765) is (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is COC1=CC(/C=C/CCN)=CN(C)C1.
What is the InChIKey of (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is RMBWHNBAVZCFGN-HWKANZROSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-8-10(5-3-4-6-12)7-11(9-13)14-2/h3,5,7-8H,4,6,9,12H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 70179765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).