2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine

C14H23N3O2 — CID 106394409

IUPAC2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
SMILESC=CCCOCCNc1ccc(N)c(OCCC)n1
InChIInChI=1S/C14H23N3O2/c1-3-5-10-18-11-8-16-13-7-6-12(15)14(17-13)19-9-4-2/h3,6-7H,1,4-5,8-11,15H2,2H3,(H,16,17)
InChIKeyMLJMYCJTEHJTAU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.46
Rot. Bonds10

About 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine

2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine (PubChem CID 106394409) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
PubChem CID106394409
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
SMILESC=CCCOCCNc1ccc(N)c(OCCC)n1
InChIInChI=1S/C14H23N3O2/c1-3-5-10-18-11-8-16-13-7-6-12(15)14(17-13)19-9-4-2/h3,6-7H,1,4-5,8-11,15H2,2H3,(H,16,17)
InChIKeyMLJMYCJTEHJTAU-UHFFFAOYSA-N
XLogP2.46
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine 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 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine (CID 106394409) is 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine is C=CCCOCCNc1ccc(N)c(OCCC)n1.
What is the InChIKey of 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is MLJMYCJTEHJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-10-18-11-8-16-13-7-6-12(15)14(17-13)19-9-4-2/h3,6-7H,1,4-5,8-11,15H2,2H3,(H,16,17).
What are the key properties of 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine?
2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 106394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).