3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine

C12H19BrN2 — CID 106875908

IUPAC3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)C(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8-6-7-14-11(10(8)13)15-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,14,15)
InChIKeyXJRDDECBBYWGMX-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.00
Rot. Bonds2

About 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine

3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine (PubChem CID 106875908) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
PubChem CID106875908
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)C(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8-6-7-14-11(10(8)13)15-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,14,15)
InChIKeyXJRDDECBBYWGMX-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 106875494
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-4-methyl-N-pent-4-en-2-ylpyridin-2-amine
CID 106875917
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine (CID 106875908) is 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine is Cc1ccnc(NC(C)C(C)(C)C)c1Br.
What is the InChIKey of 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine?
The InChIKey is XJRDDECBBYWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-8-6-7-14-11(10(8)13)15-9(2)12(3,4)5/h6-7,9H,1-5H3,(H,14,15).
What are the key properties of 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine?
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106875908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).