7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one

C10H19F3N2O — CID 71726574

IUPAC7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one
SMILESNCCCNCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(16)5-2-1-3-7-15-8-4-6-14/h15H,1-8,14H2
InChIKeyLYHQJWHAOKHZFC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.62
Rot. Bonds9

About 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one

7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one (PubChem CID 71726574) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one.

Molecular Properties

Compound Name7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one
PubChem CID71726574
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one
SMILESNCCCNCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(16)5-2-1-3-7-15-8-4-6-14/h15H,1-8,14H2
InChIKeyLYHQJWHAOKHZFC-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Azaniumylpropyl)(7,7,7-trifluoro-6-oxoheptyl)azanium (1)
CID 91937855
7-(N-(3-Aminopropyl)amino)heptan-2-one
CID 129689
7-[3-(Dimethylamino)propylamino]heptan-2-one
CID 14484877
7-[3-(Diethylamino)propylamino]heptan-2-one
CID 14484879
7-(3-Aminopropylamino)-1,1,1-trifluoroheptan-2-one;dihydrochloride
CID 71726573
7-(3-Aminopropylamino)heptan-2-one;dihydrochloride
CID 14484876
Trimethyl-[3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-oxooctyl)amino]propyl]azanium
CID 57348979
8-Amino-1,1,1-trifluoro-8-(pentylamino)octan-2-one
CID 19419439
N-[3-[acetyl-(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 58152553
2,2,2-trifluoro-N-[3-[(7,7,7-trifluoro-6-oxoheptyl)amino]propyl]acetamide
CID 58152587
ethane;methanamine;2,2,2-trifluoro-N-(6-oxoheptyl)acetamide
CID 145573747
8,8,8-Trifluoro-1-(methylamino)octan-4-one
CID 116555676

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one?
The IUPAC name of 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one (CID 71726574) is 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one.
What is the SMILES notation for 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one?
The canonical SMILES for 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one is NCCCNCCCCCC(=O)C(F)(F)F.
What is the InChIKey of 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one?
The InChIKey is LYHQJWHAOKHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9(16)5-2-1-3-7-15-8-4-6-14/h15H,1-8,14H2.
What are the key properties of 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one?
7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one has a molecular weight of 240.27 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropylamino)-1,1,1-trifluoroheptan-2-one is sourced from PubChem (CID 71726574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).