3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine

C12H19BrN2 — CID 106877136

IUPAC3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
SMILESCCC(C)(C)N(C)c1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2/c1-6-12(3,4)15(5)11-10(13)9(2)7-8-14-11/h7-8H,6H2,1-5H3
InChIKeyAHXSSZQQUREXPR-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine

3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine (PubChem CID 106877136) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
PubChem CID106877136
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
SMILESCCC(C)(C)N(C)c1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2/c1-6-12(3,4)15(5)11-10(13)9(2)7-8-14-11/h7-8H,6H2,1-5H3
InChIKeyAHXSSZQQUREXPR-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine (CID 106877136) is 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine is CCC(C)(C)N(C)c1nccc(C)c1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is AHXSSZQQUREXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-6-12(3,4)15(5)11-10(13)9(2)7-8-14-11/h7-8H,6H2,1-5H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine?
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106877136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).