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

C9H17F3N2O — CID 82851486

IUPAC5-amino-N-(3,3,3-trifluoropropyl)hexanamide
SMILESCC(N)CCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(13)3-2-4-8(15)14-6-5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyCIWGKCWNGJSCJK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.57
Rot. Bonds6

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

5-amino-N-(3,3,3-trifluoropropyl)hexanamide (PubChem CID 82851486) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-N-(3,3,3-trifluoropropyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3,3,3-trifluoropropyl)hexanamide
PubChem CID82851486
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name5-amino-N-(3,3,3-trifluoropropyl)hexanamide
SMILESCC(N)CCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(13)3-2-4-8(15)14-6-5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyCIWGKCWNGJSCJK-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851778
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
5-amino-N-but-3-ynylhexanamide
CID 82852148
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,3,3-trifluoropropyl)hexanamide?
The IUPAC name of 5-amino-N-(3,3,3-trifluoropropyl)hexanamide (CID 82851486) is 5-amino-N-(3,3,3-trifluoropropyl)hexanamide.
What is the SMILES notation for 5-amino-N-(3,3,3-trifluoropropyl)hexanamide?
The canonical SMILES for 5-amino-N-(3,3,3-trifluoropropyl)hexanamide is CC(N)CCCC(=O)NCCC(F)(F)F.
What is the InChIKey of 5-amino-N-(3,3,3-trifluoropropyl)hexanamide?
The InChIKey is CIWGKCWNGJSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(13)3-2-4-8(15)14-6-5-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-N-(3,3,3-trifluoropropyl)hexanamide?
5-amino-N-(3,3,3-trifluoropropyl)hexanamide has a molecular weight of 226.24 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,3,3-trifluoropropyl)hexanamide is sourced from PubChem (CID 82851486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).