N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine

C11H18BrN3 — CID 114869496

IUPACN'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-4-13-5-6-14-11-7-9(2)10(12)8-15-11/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDVKPJAKSUXLPLS-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.56
Rot. Bonds6

About N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine

N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine (PubChem CID 114869496) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
PubChem CID114869496
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-4-13-5-6-14-11-7-9(2)10(12)8-15-11/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDVKPJAKSUXLPLS-UHFFFAOYSA-N
XLogP2.56
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106070818
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine (CID 114869496) is N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine is CCCNCCNc1cc(C)c(Br)cn1.
What is the InChIKey of N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The InChIKey is DVKPJAKSUXLPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-4-13-5-6-14-11-7-9(2)10(12)8-15-11/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine?
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 114869496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).