5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine

C11H18BrN3 — CID 103518598

IUPAC5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
SMILESCCC(C)(C)CNc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-8(12)5-14-6-9(10)13/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyHMNNFGQXUJUDOX-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine

5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine (PubChem CID 103518598) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
PubChem CID103518598
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
SMILESCCC(C)(C)CNc1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-8(12)5-14-6-9(10)13/h5-6H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyHMNNFGQXUJUDOX-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

1-N-(3,5-dibromo-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 130608023
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-(2-ethylsulfinylethyl)pyridine-3,4-diamine
CID 103518506
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
5-bromo-4-N-(3-ethylpentan-2-yl)pyridine-3,4-diamine
CID 103518163
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine (CID 103518598) is 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine is CCC(C)(C)CNc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine?
The InChIKey is HMNNFGQXUJUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-11(2,3)7-15-10-8(12)5-14-6-9(10)13/h5-6H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine?
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-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-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine is sourced from PubChem (CID 103518598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).