2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine

C11H15BrN2 — CID 82665316

IUPAC2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine
SMILESNCC(c1ncccc1Br)C1CCC1
InChIInChI=1S/C11H15BrN2/c12-10-5-2-6-14-11(10)9(7-13)8-3-1-4-8/h2,5-6,8-9H,1,3-4,7,13H2
InChIKeyNXXCXFXCJJECML-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine

2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine (PubChem CID 82665316) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine
PubChem CID82665316
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine
SMILESNCC(c1ncccc1Br)C1CCC1
InChIInChI=1S/C11H15BrN2/c12-10-5-2-6-14-11(10)9(7-13)8-3-1-4-8/h2,5-6,8-9H,1,3-4,7,13H2
InChIKeyNXXCXFXCJJECML-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-2-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105267993
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
[(3-bromo-2-pyridinyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105268082
[(3-bromo-2-pyridinyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105268098
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
2-pyridin-2-yl-2-(thian-4-yl)ethanamine
CID 83822942
[(3-bromo-2-pyridinyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105268015
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine (CID 82665316) is 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine is NCC(c1ncccc1Br)C1CCC1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine?
The InChIKey is NXXCXFXCJJECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-5-2-6-14-11(10)9(7-13)8-3-1-4-8/h2,5-6,8-9H,1,3-4,7,13H2.
What are the key properties of 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine?
2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine is sourced from PubChem (CID 82665316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).