5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine

C12H19BrN2 — CID 107320423

IUPAC5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCc1cccnc1CNCCCCCBr
InChIInChI=1S/C12H19BrN2/c1-11-6-5-9-15-12(11)10-14-8-4-2-3-7-13/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeyZUFYMDVHGDWWLD-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.04
Rot. Bonds7

About 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine

5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine (PubChem CID 107320423) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
PubChem CID107320423
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
SMILESCc1cccnc1CNCCCCCBr
InChIInChI=1S/C12H19BrN2/c1-11-6-5-9-15-12(11)10-14-8-4-2-3-7-13/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeyZUFYMDVHGDWWLD-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.04
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-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305980
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
CID 63306471
N'-[(3-bromo-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
CID 107517396
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine (CID 107320423) is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine is Cc1cccnc1CNCCCCCBr.
What is the InChIKey of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine?
The InChIKey is ZUFYMDVHGDWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-11-6-5-9-15-12(11)10-14-8-4-2-3-7-13/h5-6,9,14H,2-4,7-8,10H2,1H3.
What are the key properties of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine?
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 107320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).