dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium

C11H23F3N3O+ — CID 58587447

IUPACdimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
SMILESCNCCC[N+](C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-15-6-4-8-17(2,3)9-5-7-16-10(18)11(12,13)14/h15H,4-9H2,1-3H3/p+1
InChIKeyDGDKGVXVYZOTBN-UHFFFAOYSA-O
MW270.32 g/mol
LogP0.74
Rot. Bonds8

About dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium

dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium (PubChem CID 58587447) has the molecular formula C11H23F3N3O+ and a molecular weight of 270.32 g/mol. Its IUPAC name is dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
PubChem CID58587447
Molecular FormulaC11H23F3N3O+
Molecular Weight270.32 g/mol
Exact Mass270.18
IUPAC Namedimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
SMILESCNCCC[N+](C)(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-15-6-4-8-17(2,3)9-5-7-16-10(18)11(12,13)14/h15H,4-9H2,1-3H3/p+1
InChIKeyDGDKGVXVYZOTBN-UHFFFAOYSA-O
XLogP0.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The IUPAC name of dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium (CID 58587447) is dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium is CNCCC[N+](C)(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
The InChIKey is DGDKGVXVYZOTBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22F3N3O/c1-15-6-4-8-17(2,3)9-5-7-16-10(18)11(12,13)14/h15H,4-9H2,1-3H3/p+1.
What are the key properties of dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium?
dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium has a molecular weight of 270.32 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium is sourced from PubChem (CID 58587447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).