FM1-43

C30H49Br2N3 — CID 6508724

IUPAC3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide
SMILESCCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
InChIInChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2
InChIKeyVZUVCAGXYLMFEC-UHFFFAOYSA-L
MW611.50 g/mol
LogP—
Rot. Bonds16

About FM1-43

FM1-43 (PubChem CID 6508724) has the molecular formula C30H49Br2N3 and a molecular weight of 611.50 g/mol. Its IUPAC name is 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide.

Molecular Properties

Compound NameFM1-43
PubChem CID6508724
Molecular FormulaC30H49Br2N3
Molecular Weight611.50 g/mol
Exact Mass611.23
IUPAC Name3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide
SMILESCCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
InChIInChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2
InChIKeyVZUVCAGXYLMFEC-UHFFFAOYSA-L
XLogP—
TPSA7.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity480

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
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Lauryl Isoquinolinium Bromide
CID 7132

Frequently Asked Questions

What is the IUPAC name of FM1-43?
The IUPAC name of FM1-43 (CID 6508724) is 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide.
What is the SMILES notation for FM1-43?
The canonical SMILES for FM1-43 is CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-].
What is the InChIKey of FM1-43?
The InChIKey is VZUVCAGXYLMFEC-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2.
What are the key properties of FM1-43?
FM1-43 has a molecular weight of 611.50 g/mol, XLogP of not available, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for FM1-43 is sourced from PubChem (CID 6508724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).