N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine

C11H13BrN2 — CID 103701794

IUPACN-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2/c1-2-3-4-7-13-9-11-6-5-10(12)8-14-11/h1,5-6,8,13H,3-4,7,9H2
InChIKeyFVFOAJSPFCDMRR-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.35
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine

N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine (PubChem CID 103701794) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine
PubChem CID103701794
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2/c1-2-3-4-7-13-9-11-6-5-10(12)8-14-11/h1,5-6,8,13H,3-4,7,9H2
InChIKeyFVFOAJSPFCDMRR-UHFFFAOYSA-N
XLogP2.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
N-[(5-bromothiophen-2-yl)methyl]pent-4-yn-1-amine
CID 115656497
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
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
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
6-[(5-bromo-2-pyridinyl)methylamino]-4-methylhexanoic acid
CID 104800428
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine (CID 103701794) is N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine is C#CCCCNCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine?
The InChIKey is FVFOAJSPFCDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-3-4-7-13-9-11-6-5-10(12)8-14-11/h1,5-6,8,13H,3-4,7,9H2.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine has a molecular weight of 253.14 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).