2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine

C11H17BrN2 — CID 104810470

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-3-9(7-13-2)6-11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHZDXEOKGTXNLPR-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.63
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine

2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine (PubChem CID 104810470) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
PubChem CID104810470
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-3-9(7-13-2)6-11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyHZDXEOKGTXNLPR-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 104810519
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
2-[(5-bromo-2-pyridinyl)methyl]-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 104810521
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine (CID 104810470) is 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine is CCC(CNC)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
The InChIKey is HZDXEOKGTXNLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-9(7-13-2)6-11-5-4-10(12)8-14-11/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine has a molecular weight of 257.17 g/mol, XLogP of 2.63, 5 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]-N-methylbutan-1-amine is sourced from PubChem (CID 104810470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).