3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine

C12H19BrN2 — CID 106875769

IUPAC3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NCC(C)C(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8(2)10(4)7-15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyWNYFMPFOCLAHAN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.86
Rot. Bonds4

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

3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine (PubChem CID 106875769) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
PubChem CID106875769
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NCC(C)C(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-8(2)10(4)7-15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyWNYFMPFOCLAHAN-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-N-(2-chloropentyl)-4-methylpyridin-2-amine
CID 106879056
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
1-(4-aminophenyl)-2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethanol
CID 106876269
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine (CID 106875769) is 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine is Cc1ccnc(NCC(C)C(C)C)c1Br.
What is the InChIKey of 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine?
The InChIKey is WNYFMPFOCLAHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-8(2)10(4)7-15-12-11(13)9(3)5-6-14-12/h5-6,8,10H,7H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine?
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106875769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).