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

C11H17BrN2 — CID 106875473

IUPAC3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)C(C)C)c1Br
InChIInChI=1S/C11H17BrN2/c1-7(2)9(4)14-11-10(12)8(3)5-6-13-11/h5-7,9H,1-4H3,(H,13,14)
InChIKeyIOISNIDPGFSQIU-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.61
Rot. Bonds3

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

3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine (PubChem CID 106875473) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
PubChem CID106875473
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)C(C)C)c1Br
InChIInChI=1S/C11H17BrN2/c1-7(2)9(4)14-11-10(12)8(3)5-6-13-11/h5-7,9H,1-4H3,(H,13,14)
InChIKeyIOISNIDPGFSQIU-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
3-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 106875494
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-4-methyl-N-pent-4-en-2-ylpyridin-2-amine
CID 106875917
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
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine (CID 106875473) is 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine is Cc1ccnc(NC(C)C(C)C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is IOISNIDPGFSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-7(2)9(4)14-11-10(12)8(3)5-6-13-11/h5-7,9H,1-4H3,(H,13,14).
What are the key properties of 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 257.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106875473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).