5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide

C10H19F3N2O — CID 82851778

IUPAC5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
SMILESCC(N)CCCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(14)4-3-5-9(16)15(2)7-6-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyXLRKTHROLARHLP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.91
Rot. Bonds6

About 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide

5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide (PubChem CID 82851778) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
PubChem CID82851778
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
SMILESCC(N)CCCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(14)4-3-5-9(16)15(2)7-6-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyXLRKTHROLARHLP-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(Dimethylamino)propyl]-perfluorohexanamide
CID 139596925
4-amino-5,5-difluoro-N-propylpentanamide;hydrobromide
CID 20543325
4-amino-5,5-difluoro-N-propylpentanamide
CID 20543326
N-(4,4,4-trifluorobutyl)hexanamide
CID 54136808
(5S)-5-amino-6-(3,3-difluoropyrrolidin-1-yl)-6-oxohexanamide
CID 69762110
5-Amino-6-(3,3-difluoropyrrolidin-1-yl)-6-oxohexanamide
CID 69762218
3-amino-N-cyclopropyl-2,2-difluorohexanamide
CID 70313284
3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
CID 71068354
N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 87322369
N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 87322372
6-Amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495
6-Amino-1-(3,3-difluoropyrrolidin-1-yl)hexan-1-one
CID 91367577

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide?
The IUPAC name of 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide (CID 82851778) is 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide.
What is the SMILES notation for 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide?
The canonical SMILES for 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide is CC(N)CCCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide?
The InChIKey is XLRKTHROLARHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(14)4-3-5-9(16)15(2)7-6-10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide?
5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide has a molecular weight of 240.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide is sourced from PubChem (CID 82851778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).