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

C11H18BrN3 — CID 83694009

IUPAC3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
SMILESCC1CCn2c(nc(CCCN)c2Br)C1
InChIInChI=1S/C11H18BrN3/c1-8-4-6-15-10(7-8)14-9(11(15)12)3-2-5-13/h8H,2-7,13H2,1H3
InChIKeyUSVOJIDUVNIKFF-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.12
Rot. Bonds3

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

3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine (PubChem CID 83694009) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
PubChem CID83694009
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine
SMILESCC1CCn2c(nc(CCCN)c2Br)C1
InChIInChI=1S/C11H18BrN3/c1-8-4-6-15-10(7-8)14-9(11(15)12)3-2-5-13/h8H,2-7,13H2,1H3
InChIKeyUSVOJIDUVNIKFF-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The IUPAC name of 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine (CID 83694009) is 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine is CC1CCn2c(nc(CCCN)c2Br)C1.
What is the InChIKey of 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
The InChIKey is USVOJIDUVNIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-4-6-15-10(7-8)14-9(11(15)12)3-2-5-13/h8H,2-7,13H2,1H3.
What are the key properties of 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine?
3-(3-bromo-7-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 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 83694009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).