5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine

C11H18BrN3 — CID 103460153

IUPAC5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
SMILESCCC(C)(C)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-9(13)5-8(12)6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyFDYUWYVVSQUEQK-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine

5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine (PubChem CID 103460153) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
PubChem CID103460153
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
SMILESCCC(C)(C)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-9(13)5-8(12)6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyFDYUWYVVSQUEQK-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine (CID 103460153) is 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine is CCC(C)(C)CNc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine?
The InChIKey is FDYUWYVVSQUEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-9(13)5-8(12)6-14-10/h5-6H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine?
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine has a molecular weight of 272.19 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 103460153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).