3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine

C12H19BrN2 — CID 103462640

IUPAC3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
SMILESCCC(C)(C)CNc1ncc(C)cc1Br
InChIInChI=1S/C12H19BrN2/c1-5-12(3,4)8-15-11-10(13)6-9(2)7-14-11/h6-7H,5,8H2,1-4H3,(H,14,15)
InChIKeyUNIDUNKZURZYMM-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.00
Rot. Bonds4

About 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine

3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine (PubChem CID 103462640) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
PubChem CID103462640
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
SMILESCCC(C)(C)CNc1ncc(C)cc1Br
InChIInChI=1S/C12H19BrN2/c1-5-12(3,4)8-15-11-10(13)6-9(2)7-14-11/h6-7H,5,8H2,1-4H3,(H,14,15)
InChIKeyUNIDUNKZURZYMM-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866243
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine (CID 103462640) is 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine is CCC(C)(C)CNc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine?
The InChIKey is UNIDUNKZURZYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-5-12(3,4)8-15-11-10(13)6-9(2)7-14-11/h6-7H,5,8H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine?
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 103462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).