4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine

C12H18N2O — CID 57143543

IUPAC4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine
SMILESCCOc1cncc(C(C)=CCCN)c1
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-11(8-14-9-12)10(2)5-4-6-13/h5,7-9H,3-4,6,13H2,1-2H3
InChIKeyOERKXEQHJJWXFX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.23
Rot. Bonds5

About 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine

4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine (PubChem CID 57143543) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine
PubChem CID57143543
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine
SMILESCCOc1cncc(C(C)=CCCN)c1
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-11(8-14-9-12)10(2)5-4-6-13/h5,7-9H,3-4,6,13H2,1-2H3
InChIKeyOERKXEQHJJWXFX-UHFFFAOYSA-N
XLogP2.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-ethoxy-3-pyridinyl)pent-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-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine?
The IUPAC name of 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine (CID 57143543) is 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine?
The canonical SMILES for 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine is CCOc1cncc(C(C)=CCCN)c1.
What is the InChIKey of 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine?
The InChIKey is OERKXEQHJJWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-12-7-11(8-14-9-12)10(2)5-4-6-13/h5,7-9H,3-4,6,13H2,1-2H3.
What are the key properties of 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine?
4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine is sourced from PubChem (CID 57143543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).