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

C12H18BrN3 — CID 116984648

IUPAC1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc(Br)c3n2CCCC3)CC1
InChIInChI=1S/C12H18BrN3/c1-14-8-12(5-6-12)11-15-10(13)9-4-2-3-7-16(9)11/h14H,2-8H2,1H3
InChIKeyIOAFNEKLXBHCIM-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.23
Rot. Bonds3

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

1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 116984648) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
PubChem CID116984648
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc(Br)c3n2CCCC3)CC1
InChIInChI=1S/C12H18BrN3/c1-14-8-12(5-6-12)11-15-10(13)9-4-2-3-7-16(9)11/h14H,2-8H2,1H3
InChIKeyIOAFNEKLXBHCIM-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(hydroxymethyl)cyclobutyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984533
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
CID 116984672
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
CID 116984622
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)butan-1-ol
CID 116984663
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
1-bromo-3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116984576
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
CID 84611501
N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
CID 116983863
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine (CID 116984648) is 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2nc(Br)c3n2CCCC3)CC1.
What is the InChIKey of 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is IOAFNEKLXBHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-14-8-12(5-6-12)11-15-10(13)9-4-2-3-7-16(9)11/h14H,2-8H2,1H3.
What are the key properties of 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 284.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116984648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).