5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine

C12H18Br2N2 — CID 107204834

IUPAC5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCBr)Cc1ccc(Br)cn1
InChIInChI=1S/C12H18Br2N2/c1-16(8-4-2-3-7-13)10-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyTVEDBORKJBVZEG-UHFFFAOYSA-N
MW350.10 g/mol
LogP3.84
Rot. Bonds7

About 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine

5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine (PubChem CID 107204834) has the molecular formula C12H18Br2N2 and a molecular weight of 350.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
PubChem CID107204834
Molecular FormulaC12H18Br2N2
Molecular Weight350.10 g/mol
Exact Mass347.98
IUPAC Name5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCBr)Cc1ccc(Br)cn1
InChIInChI=1S/C12H18Br2N2/c1-16(8-4-2-3-7-13)10-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyTVEDBORKJBVZEG-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533
5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 107204808
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
CID 107200733
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine (CID 107204834) is 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine is CN(CCCCCBr)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine?
The InChIKey is TVEDBORKJBVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2/c1-16(8-4-2-3-7-13)10-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine?
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine has a molecular weight of 350.10 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107204834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).