5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine

C11H17BrN2 — CID 115147028

IUPAC5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C(C)(C)C)ncc1Br
InChIInChI=1S/C11H17BrN2/c1-8-6-10(13-7-9(8)12)14(5)11(2,3)4/h6-7H,1-5H3
InChIKeyPZAKLOVXPOICCD-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.39
Rot. Bonds1

About 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine

5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine (PubChem CID 115147028) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
PubChem CID115147028
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C(C)(C)C)ncc1Br
InChIInChI=1S/C11H17BrN2/c1-8-6-10(13-7-9(8)12)14(5)11(2,3)4/h6-7H,1-5H3
InChIKeyPZAKLOVXPOICCD-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
CID 130654167
5-bromo-N-(2-cyclohexylethyl)-N,4-dimethylpyridin-2-amine
CID 115147243
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine (CID 115147028) is 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)C(C)(C)C)ncc1Br.
What is the InChIKey of 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine?
The InChIKey is PZAKLOVXPOICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8-6-10(13-7-9(8)12)14(5)11(2,3)4/h6-7H,1-5H3.
What are the key properties of 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine?
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine has a molecular weight of 257.17 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 115147028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).