8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine

C15H18BrN3 — CID 141154153

IUPAC8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCC#Cc1nc2c(Br)cc(C)cn2c1N
InChIInChI=1S/C15H18BrN3/c1-3-4-5-6-7-8-13-14(17)19-10-11(2)9-12(16)15(19)18-13/h9-10H,3-6,17H2,1-2H3
InChIKeyFNZMBNMIWWQZBB-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.92
Rot. Bonds3

About 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine

8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 141154153) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID141154153
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCC#Cc1nc2c(Br)cc(C)cn2c1N
InChIInChI=1S/C15H18BrN3/c1-3-4-5-6-7-8-13-14(17)19-10-11(2)9-12(16)15(19)18-13/h9-10H,3-6,17H2,1-2H3
InChIKeyFNZMBNMIWWQZBB-UHFFFAOYSA-N
XLogP3.92
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine (CID 141154153) is 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine is CCCCCC#Cc1nc2c(Br)cc(C)cn2c1N.
What is the InChIKey of 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is FNZMBNMIWWQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-4-5-6-7-8-13-14(17)19-10-11(2)9-12(16)15(19)18-13/h9-10H,3-6,17H2,1-2H3.
What are the key properties of 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine?
8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 320.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-hept-1-ynyl-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 141154153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).