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

C13H20BrN3 — CID 117247204

IUPACN-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine
SMILESCC1CCn2c(CNC3CCC3)nc(Br)c2C1
InChIInChI=1S/C13H20BrN3/c1-9-5-6-17-11(7-9)13(14)16-12(17)8-15-10-3-2-4-10/h9-10,15H,2-8H2,1H3
InChIKeyCWGSICIZVVMWOQ-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.87
Rot. Bonds3

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

N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine (PubChem CID 117247204) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine
PubChem CID117247204
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine
SMILESCC1CCn2c(CNC3CCC3)nc(Br)c2C1
InChIInChI=1S/C13H20BrN3/c1-9-5-6-17-11(7-9)13(14)16-12(17)8-15-10-3-2-4-10/h9-10,15H,2-8H2,1H3
InChIKeyCWGSICIZVVMWOQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine (CID 117247204) is N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine is CC1CCn2c(CNC3CCC3)nc(Br)c2C1.
What is the InChIKey of N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine?
The InChIKey is CWGSICIZVVMWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-5-6-17-11(7-9)13(14)16-12(17)8-15-10-3-2-4-10/h9-10,15H,2-8H2,1H3.
What are the key properties of N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine?
N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine has a molecular weight of 298.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117247204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).