(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine

C13H19BrN2 — CID 104813629

IUPAC(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2/c1-2-9-15-10-5-3-4-6-13-8-7-12(14)11-16-13/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/b4-3+
InChIKeyRDXSFQDEVRPMCB-ONEGZZNKSA-N
MW283.21 g/mol
LogP3.33
Rot. Bonds7

About (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine

(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine (PubChem CID 104813629) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
PubChem CID104813629
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2/c1-2-9-15-10-5-3-4-6-13-8-7-12(14)11-16-13/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/b4-3+
InChIKeyRDXSFQDEVRPMCB-ONEGZZNKSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine (CID 104813629) is (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine is CCCNCC/C=C/Cc1ccc(Br)cn1.
What is the InChIKey of (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine?
The InChIKey is RDXSFQDEVRPMCB-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-9-15-10-5-3-4-6-13-8-7-12(14)11-16-13/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3/b4-3+.
What are the key properties of (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine?
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 104813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).