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

C12H20N2O — CID 57283088

IUPAC4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCCOC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C12H20N2O/c1-3-15-12-8-11(6-4-5-7-13)9-14(2)10-12/h4,6,8-9H,3,5,7,10,13H2,1-2H3
InChIKeyVAFLUQIZCQCSHK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.64
Rot. Bonds5

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

4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57283088) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57283088
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCCOC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C12H20N2O/c1-3-15-12-8-11(6-4-5-7-13)9-14(2)10-12/h4,6,8-9H,3,5,7,10,13H2,1-2H3
InChIKeyVAFLUQIZCQCSHK-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57283088) is 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is CCOC1=CC(C=CCCN)=CN(C)C1.
What is the InChIKey of 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is VAFLUQIZCQCSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-12-8-11(6-4-5-7-13)9-14(2)10-12/h4,6,8-9H,3,5,7,10,13H2,1-2H3.
What are the key properties of 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57283088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).