3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide

C9H17F3N2O — CID 115519420

IUPAC3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
SMILESCNCCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-7-4-8(15)14-6-3-2-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyXHVUAJAUFZUEPX-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.44
Rot. Bonds7

About 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide

3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide (PubChem CID 115519420) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
PubChem CID115519420
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
SMILESCNCCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-7-4-8(15)14-6-3-2-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyXHVUAJAUFZUEPX-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
2-(5,5,5-trifluoropentylcarbamoylamino)acetic acid
CID 115521461
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
4-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 115521411
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide?
The IUPAC name of 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide (CID 115519420) is 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide is CNCCC(=O)NCCCCC(F)(F)F.
What is the InChIKey of 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide?
The InChIKey is XHVUAJAUFZUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-13-7-4-8(15)14-6-3-2-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide?
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide is sourced from PubChem (CID 115519420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).