2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine

C15H18BrN3 — CID 79531545

IUPAC2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
SMILESCCCN(Cc1ccccc1)c1ncc(N)cc1Br
InChIInChI=1S/C15H18BrN3/c1-2-8-19(11-12-6-4-3-5-7-12)15-14(16)9-13(17)10-18-15/h3-7,9-10H,2,8,11,17H2,1H3
InChIKeyZEYKWEHLBUPJSK-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.84
Rot. Bonds5

About 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine

2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine (PubChem CID 79531545) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
PubChem CID79531545
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
SMILESCCCN(Cc1ccccc1)c1ncc(N)cc1Br
InChIInChI=1S/C15H18BrN3/c1-2-8-19(11-12-6-4-3-5-7-12)15-14(16)9-13(17)10-18-15/h3-7,9-10H,2,8,11,17H2,1H3
InChIKeyZEYKWEHLBUPJSK-UHFFFAOYSA-N
XLogP3.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921
4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
CID 55011806
4-[[benzyl(propyl)amino]methyl]-3-bromoaniline
CID 60792626

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine (CID 79531545) is 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine is CCCN(Cc1ccccc1)c1ncc(N)cc1Br.
What is the InChIKey of 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine?
The InChIKey is ZEYKWEHLBUPJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-8-19(11-12-6-4-3-5-7-12)15-14(16)9-13(17)10-18-15/h3-7,9-10H,2,8,11,17H2,1H3.
What are the key properties of 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine?
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine is sourced from PubChem (CID 79531545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).