N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine

C11H18BrN3 — CID 115778146

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cncc(Br)c1
InChIInChI=1S/C11H18BrN3/c1-15(2)5-3-4-13-7-10-6-11(12)9-14-8-10/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyUPTMUNNZEYAPSH-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.89
Rot. Bonds6

About N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 115778146) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID115778146
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cncc(Br)c1
InChIInChI=1S/C11H18BrN3/c1-15(2)5-3-4-13-7-10-6-11(12)9-14-8-10/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyUPTMUNNZEYAPSH-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.89
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-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 104796849
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(5-bromo-3-pyridinyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 113454152
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 115778146) is N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is UPTMUNNZEYAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-15(2)5-3-4-13-7-10-6-11(12)9-14-8-10/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 272.19 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115778146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).