4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine

C12H20N2O — CID 54197950

IUPAC4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine
SMILESCOCC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C12H20N2O/c1-14-8-11(5-3-4-6-13)7-12(9-14)10-15-2/h3,5,7-8H,4,6,9-10,13H2,1-2H3
InChIKeyPNESYRRZYMQIGK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds5

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

4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine (PubChem CID 54197950) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine
PubChem CID54197950
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine
SMILESCOCC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C12H20N2O/c1-14-8-11(5-3-4-6-13)7-12(9-14)10-15-2/h3,5,7-8H,4,6,9-10,13H2,1-2H3
InChIKeyPNESYRRZYMQIGK-UHFFFAOYSA-N
XLogP1.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine?
The IUPAC name of 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine (CID 54197950) is 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine?
The canonical SMILES for 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine is COCC1=CC(C=CCCN)=CN(C)C1.
What is the InChIKey of 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine?
The InChIKey is PNESYRRZYMQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-8-11(5-3-4-6-13)7-12(9-14)10-15-2/h3,5,7-8H,4,6,9-10,13H2,1-2H3.
What are the key properties of 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine?
4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine is sourced from PubChem (CID 54197950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).