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

C11H16Br2N2 — CID 107320331

IUPAC5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
SMILESBrCCCCCNCc1ccc(Br)cn1
InChIInChI=1S/C11H16Br2N2/c12-6-2-1-3-7-14-9-11-5-4-10(13)8-15-11/h4-5,8,14H,1-3,6-7,9H2
InChIKeyLXQDIVFADPJIAP-UHFFFAOYSA-N
MW336.07 g/mol
LogP3.50
Rot. Bonds7

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

5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine (PubChem CID 107320331) has the molecular formula C11H16Br2N2 and a molecular weight of 336.07 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
PubChem CID107320331
Molecular FormulaC11H16Br2N2
Molecular Weight336.07 g/mol
Exact Mass333.97
IUPAC Name5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
SMILESBrCCCCCNCc1ccc(Br)cn1
InChIInChI=1S/C11H16Br2N2/c12-6-2-1-3-7-14-9-11-5-4-10(13)8-15-11/h4-5,8,14H,1-3,6-7,9H2
InChIKeyLXQDIVFADPJIAP-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 53.50
H-Bond Donors ≤ 51
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]pent-4-yn-1-amine
CID 103701794
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine (CID 107320331) is 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine is BrCCCCCNCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine?
The InChIKey is LXQDIVFADPJIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2/c12-6-2-1-3-7-14-9-11-5-4-10(13)8-15-11/h4-5,8,14H,1-3,6-7,9H2.
What are the key properties of 5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine?
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine has a molecular weight of 336.07 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 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]pentan-1-amine is sourced from PubChem (CID 107320331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).