5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine

C13H21BrN2 — CID 115147222

IUPAC5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)CCC(C)(C)C)ncc1Br
InChIInChI=1S/C13H21BrN2/c1-10-8-12(15-9-11(10)14)16(5)7-6-13(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyYAOFHZLNLVWJHS-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine

5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine (PubChem CID 115147222) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
PubChem CID115147222
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)CCC(C)(C)C)ncc1Br
InChIInChI=1S/C13H21BrN2/c1-10-8-12(15-9-11(10)14)16(5)7-6-13(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyYAOFHZLNLVWJHS-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
5-bromo-N-(2-cyclohexylethyl)-N,4-dimethylpyridin-2-amine
CID 115147243
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine (CID 115147222) is 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)CCC(C)(C)C)ncc1Br.
What is the InChIKey of 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is YAOFHZLNLVWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10-8-12(15-9-11(10)14)16(5)7-6-13(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine?
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 115147222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).