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

C13H22BrN3 — CID 106544023

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Br)c(C)n1
InChIInChI=1S/C13H22BrN3/c1-4-17(5-2)10-6-9-15-13-8-7-12(14)11(3)16-13/h7-8H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyBNGCHTMXULZSBF-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.30
Rot. Bonds7

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

N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 106544023) 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)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID106544023
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Br)c(C)n1
InChIInChI=1S/C13H22BrN3/c1-4-17(5-2)10-6-9-15-13-8-7-12(14)11(3)16-13/h7-8H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyBNGCHTMXULZSBF-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 114046561
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
CID 100984113
3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
CID 121205903
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372327
2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106239798
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine (CID 106544023) is N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is BNGCHTMXULZSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-17(5-2)10-6-9-15-13-8-7-12(14)11(3)16-13/h7-8H,4-6,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 300.24 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 106544023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).