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

C14H24N2O — CID 69349635

IUPAC(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
SMILESCC(C)COC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C14H24N2O/c1-12(2)11-17-14-8-13(6-4-5-7-15)9-16(3)10-14/h4,6,8-9,12H,5,7,10-11,15H2,1-3H3/b6-4+
InChIKeyTXXFRGVYDNYZBY-GQCTYLIASA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds6

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

(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine (PubChem CID 69349635) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
PubChem CID69349635
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
SMILESCC(C)COC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C14H24N2O/c1-12(2)11-17-14-8-13(6-4-5-7-15)9-16(3)10-14/h4,6,8-9,12H,5,7,10-11,15H2,1-3H3/b6-4+
InChIKeyTXXFRGVYDNYZBY-GQCTYLIASA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-4-[1-methyl-3-(2-methylpropoxy)-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 (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine?
The IUPAC name of (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine (CID 69349635) is (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine?
The canonical SMILES for (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine is CC(C)COC1=CC(/C=C/CCN)=CN(C)C1.
What is the InChIKey of (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine?
The InChIKey is TXXFRGVYDNYZBY-GQCTYLIASA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)11-17-14-8-13(6-4-5-7-15)9-16(3)10-14/h4,6,8-9,12H,5,7,10-11,15H2,1-3H3/b6-4+.
What are the key properties of (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine?
(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine is sourced from PubChem (CID 69349635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).