N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

C13H22BrN3 — CID 114164178

IUPACN'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccc(Br)c(C)n1
InChIInChI=1S/C13H22BrN3/c1-4-13(5-2,8-15)9-16-12-7-6-11(14)10(3)17-12/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyZBCHLIPFEUWNDA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.33
Rot. Bonds6

About N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine

N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (PubChem CID 114164178) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
PubChem CID114164178
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC NameN'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccc(Br)c(C)n1
InChIInChI=1S/C13H22BrN3/c1-4-13(5-2,8-15)9-16-12-7-6-11(14)10(3)17-12/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyZBCHLIPFEUWNDA-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine (CID 114164178) is N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNc1ccc(Br)c(C)n1.
What is the InChIKey of N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is ZBCHLIPFEUWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-13(5-2,8-15)9-16-12-7-6-11(14)10(3)17-12/h6-7H,4-5,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine?
N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 300.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 114164178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).