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

C11H18N2O — CID 54273935

IUPAC4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCOC1=CC(C=CCCN)=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
InChIKeyRMBWHNBAVZCFGN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds4

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

4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 54273935) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID54273935
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCOC1=CC(C=CCCN)=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
InChIKeyRMBWHNBAVZCFGN-UHFFFAOYSA-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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Related Compounds

3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
CID 54065066
4-(3-methoxy-1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57024558
4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
CID 57268510
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088
(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
CID 67414693
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
CID 67602404
(E)-4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 68755854
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
CID 69349635
(6-methoxy-1-methyl-2H-pyridin-5-yl)methanamine
CID 69647508
(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70179765
(E)-4-(3-methoxy-1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70180297

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 54273935) is 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is COC1=CC(C=CCCN)=CN(C)C1.
What is the InChIKey of 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is RMBWHNBAVZCFGN-UHFFFAOYSA-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.
What are the key properties of 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
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 4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 54273935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).