3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium

C18H44F2N4O+2 — CID 91357358

IUPAC3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium
SMILESCCC(=O)NCCC[N+](C)(C)C.CF.C[N+](C)(C)CCCNCCF
InChIInChI=1S/C9H20N2O.C8H20FN2.CH3F/c1-5-9(12)10-7-6-8-11(2,3)4;1-11(2,3)8-4-6-10-7-5-9;1-2/h5-8H2,1-4H3;10H,4-8H2,1-3H3;1H3/q;+1;/p+1
InChIKeyYWPGPTXGIZKLTE-UHFFFAOYSA-O
MW370.57 g/mol
LogP1.84
Rot. Bonds11

About 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium

3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium (PubChem CID 91357358) has the molecular formula C18H44F2N4O+2 and a molecular weight of 370.57 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium.

Molecular Properties

Compound Name3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium
PubChem CID91357358
Molecular FormulaC18H44F2N4O+2
Molecular Weight370.57 g/mol
Exact Mass370.35
IUPAC Name3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium
SMILESCCC(=O)NCCC[N+](C)(C)C.CF.C[N+](C)(C)CCCNCCF
InChIInChI=1S/C9H20N2O.C8H20FN2.CH3F/c1-5-9(12)10-7-6-8-11(2,3)4;1-11(2,3)8-4-6-10-7-5-9;1-2/h5-8H2,1-4H3;10H,4-8H2,1-3H3;1H3/q;+1;/p+1
InChIKeyYWPGPTXGIZKLTE-UHFFFAOYSA-O
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
N-(3-aminopropyl)propanamide
CID 21290277
N-[3-(2-oxopropylamino)propyl]propanamide
CID 71439535
hexadecyl-dimethyl-[2-oxo-2-[3-(trimethylazaniumyl)propylamino]ethyl]azanium dichloride
CID 139878253
trimethyl-[3-(propylamino)propyl]azanium chloride
CID 172796424
dimethyl-octadecyl-[4-oxo-4-[3-(trimethylazaniumyl)propylamino]butyl]azanium
CID 139878279
3-[3-[2-[bis[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]ethyl-[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]propanoylamino]propyl-trimethylazanium tetrachloride
CID 160659042
3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
CID 23598314
trimethyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]azanium
CID 6437413
N-(4-hydroxypentyl)propanamide
CID 107299540
3-[3-[2-[bis[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]ethyl-[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]propanoylamino]propyl-trimethylazanium;methane;trichloride
CID 165073508

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium?
The IUPAC name of 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium (CID 91357358) is 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium.
What is the SMILES notation for 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium?
The canonical SMILES for 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium is CCC(=O)NCCC[N+](C)(C)C.CF.C[N+](C)(C)CCCNCCF.
What is the InChIKey of 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium?
The InChIKey is YWPGPTXGIZKLTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2O.C8H20FN2.CH3F/c1-5-9(12)10-7-6-8-11(2,3)4;1-11(2,3)8-4-6-10-7-5-9;1-2/h5-8H2,1-4H3;10H,4-8H2,1-3H3;1H3/q;+1;/p+1.
What are the key properties of 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium?
3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium has a molecular weight of 370.57 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)propyl-trimethylazanium;fluoromethane;trimethyl-[3-(propanoylamino)propyl]azanium is sourced from PubChem (CID 91357358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).