3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine

C11H18BrN3 — CID 83694008

IUPAC3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
SMILESCC1CCCn2c1nc(CCCN)c2Br
InChIInChI=1S/C11H18BrN3/c1-8-4-3-7-15-10(12)9(5-2-6-13)14-11(8)15/h8H,2-7,13H2,1H3
InChIKeyFPPQYYYZERWLPL-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.43
Rot. Bonds3

About 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine

3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine (PubChem CID 83694008) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
PubChem CID83694008
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
SMILESCC1CCCn2c1nc(CCCN)c2Br
InChIInChI=1S/C11H18BrN3/c1-8-4-3-7-15-10(12)9(5-2-6-13)14-11(8)15/h8H,2-7,13H2,1H3
InChIKeyFPPQYYYZERWLPL-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The IUPAC name of 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine (CID 83694008) is 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine is CC1CCCn2c1nc(CCCN)c2Br.
What is the InChIKey of 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The InChIKey is FPPQYYYZERWLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-4-3-7-15-10(12)9(5-2-6-13)14-11(8)15/h8H,2-7,13H2,1H3.
What are the key properties of 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 83694008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).