3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine

C11H17BrN2 — CID 104810395

IUPAC3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-5-13-6-3-4-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3
InChIKeyZUTGXQVBTLPMJV-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.78
Rot. Bonds6

About 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine

3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine (PubChem CID 104810395) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
PubChem CID104810395
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-5-13-6-3-4-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3
InChIKeyZUTGXQVBTLPMJV-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
4-(3-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 79709608
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine (CID 104810395) is 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine is CCCNCCCc1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is ZUTGXQVBTLPMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-5-13-6-3-4-10-7-11(12)9-14-8-10/h7-9,13H,2-6H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 257.17 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 104810395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).