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

C10H16BrN3 — CID 79532457

IUPAC3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
SMILESCC(C)(C)CNc1ncc(N)cc1Br
InChIInChI=1S/C10H16BrN3/c1-10(2,3)6-14-9-8(11)4-7(12)5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyYEAYWHNEILHDDG-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.88
Rot. Bonds2

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

3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine (PubChem CID 79532457) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
PubChem CID79532457
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
SMILESCC(C)(C)CNc1ncc(N)cc1Br
InChIInChI=1S/C10H16BrN3/c1-10(2,3)6-14-9-8(11)4-7(12)5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyYEAYWHNEILHDDG-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
CID 79531860
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
3-bromo-2-N-(3,3-dimethylbutan-2-yl)pyridine-2,5-diamine
CID 104827426
N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
CID 114212725
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 79534922
2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 79534553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine (CID 79532457) is 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine is CC(C)(C)CNc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine?
The InChIKey is YEAYWHNEILHDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-10(2,3)6-14-9-8(11)4-7(12)5-13-9/h4-5H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine?
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 79532457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).