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

C14H23BrN2 — CID 104810480

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-5-11(9-17-14(2,3)4)8-13-7-6-12(15)10-16-13/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyZPRLCCJDKPOVIA-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.80
Rot. Bonds5

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

2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine (PubChem CID 104810480) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
PubChem CID104810480
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-5-11(9-17-14(2,3)4)8-13-7-6-12(15)10-16-13/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyZPRLCCJDKPOVIA-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 113455860
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
[1-(5-bromo-2-pyridinyl)-3-methoxypentan-2-yl]hydrazine
CID 105270656
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107052932

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine (CID 104810480) is 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine is CCC(CNC(C)(C)C)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine?
The InChIKey is ZPRLCCJDKPOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-11(9-17-14(2,3)4)8-13-7-6-12(15)10-16-13/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 3.80, 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-tert-butylbutan-1-amine is sourced from PubChem (CID 104810480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).