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

C10H16BrN3 — CID 83844281

IUPAC2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
SMILESCC1CCn2c(CCN)nc(Br)c2C1
InChIInChI=1S/C10H16BrN3/c1-7-3-5-14-8(6-7)10(11)13-9(14)2-4-12/h7H,2-6,12H2,1H3
InChIKeyPFKXAQQCABTXPM-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.73
Rot. Bonds2

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

2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine (PubChem CID 83844281) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
PubChem CID83844281
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
SMILESCC1CCn2c(CCN)nc(Br)c2C1
InChIInChI=1S/C10H16BrN3/c1-7-3-5-14-8(6-7)10(11)13-9(14)2-4-12/h7H,2-6,12H2,1H3
InChIKeyPFKXAQQCABTXPM-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine (CID 83844281) is 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine is CC1CCn2c(CCN)nc(Br)c2C1.
What is the InChIKey of 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine?
The InChIKey is PFKXAQQCABTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-3-5-14-8(6-7)10(11)13-9(14)2-4-12/h7H,2-6,12H2,1H3.
What are the key properties of 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine?
2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine has a molecular weight of 258.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83844281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).