N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine

C12H14BrN3 — CID 123184830

IUPACN-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine
SMILESC/C=N/CCCc1ccc2ncc(Br)n2c1
InChIInChI=1S/C12H14BrN3/c1-2-14-7-3-4-10-5-6-12-15-8-11(13)16(12)9-10/h2,5-6,8-9H,3-4,7H2,1H3/b14-2+
InChIKeyWDUAMHBWOVYIIY-JLZUIIAYSA-N
MW280.17 g/mol
LogP3.12
Rot. Bonds4

About N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine

N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine (PubChem CID 123184830) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine.

Molecular Properties

Compound NameN-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine
PubChem CID123184830
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine
SMILESC/C=N/CCCc1ccc2ncc(Br)n2c1
InChIInChI=1S/C12H14BrN3/c1-2-14-7-3-4-10-5-6-12-15-8-11(13)16(12)9-10/h2,5-6,8-9H,3-4,7H2,1H3/b14-2+
InChIKeyWDUAMHBWOVYIIY-JLZUIIAYSA-N
XLogP3.12
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine 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 N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine?
The IUPAC name of N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine (CID 123184830) is N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine.
What is the SMILES notation for N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine?
The canonical SMILES for N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine is C/C=N/CCCc1ccc2ncc(Br)n2c1.
What is the InChIKey of N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine?
The InChIKey is WDUAMHBWOVYIIY-JLZUIIAYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-14-7-3-4-10-5-6-12-15-8-11(13)16(12)9-10/h2,5-6,8-9H,3-4,7H2,1H3/b14-2+.
What are the key properties of N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine?
N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine has a molecular weight of 280.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromoimidazo[1,2-a]pyridin-6-yl)propyl]ethanimine is sourced from PubChem (CID 123184830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).