[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine

C11H15BrN2 — CID 104813760

IUPAC[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
SMILESNCC1CCC1Cc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2/c12-10-3-4-11(14-7-10)5-8-1-2-9(8)6-13/h3-4,7-9H,1-2,5-6,13H2
InChIKeyRGFSBJIIYALYON-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.37
Rot. Bonds3

About [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine

[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine (PubChem CID 104813760) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
PubChem CID104813760
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
SMILESNCC1CCC1Cc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2/c12-10-3-4-11(14-7-10)5-8-1-2-9(8)6-13/h3-4,7-9H,1-2,5-6,13H2
InChIKeyRGFSBJIIYALYON-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
CID 104812252
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
CID 81011185
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
CID 104799754
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine (CID 104813760) is [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine is NCC1CCC1Cc1ccc(Br)cn1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine?
The InChIKey is RGFSBJIIYALYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-3-4-11(14-7-10)5-8-1-2-9(8)6-13/h3-4,7-9H,1-2,5-6,13H2.
What are the key properties of [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine?
[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine has a molecular weight of 255.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 104813760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).