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

C12H20BrN3 — CID 116984672

IUPAC2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C12H20BrN3/c1-3-9(8-14-2)12-15-11(13)10-6-4-5-7-16(10)12/h9,14H,3-8H2,1-2H3
InChIKeyCEJFZRMXUCXLFR-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.69
Rot. Bonds4

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

2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine (PubChem CID 116984672) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
PubChem CID116984672
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C12H20BrN3/c1-3-9(8-14-2)12-15-11(13)10-6-4-5-7-16(10)12/h9,14H,3-8H2,1-2H3
InChIKeyCEJFZRMXUCXLFR-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)butan-1-ol
CID 116984663
2-[1-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]butan-1-ol
CID 116984543
1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
CID 116984648
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
CID 116984622
1-N-butan-2-yl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072565
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 81057696
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
3-ethyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552271

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine (CID 116984672) is 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine is CCC(CNC)c1nc(Br)c2n1CCCC2.
What is the InChIKey of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine?
The InChIKey is CEJFZRMXUCXLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-9(8-14-2)12-15-11(13)10-6-4-5-7-16(10)12/h9,14H,3-8H2,1-2H3.
What are the key properties of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine?
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine has a molecular weight of 286.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 116984672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).