2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide

C9H17F3N2O — CID 79796676

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-4-5-6-14-7(15)8(2,13)9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyGTPSWDFRZVIWHP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide (PubChem CID 79796676) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
PubChem CID79796676
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-4-5-6-14-7(15)8(2,13)9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyGTPSWDFRZVIWHP-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
2,2,3,3,4,4,5,5-octafluoro-N,N'-dioctylhexanediamide
CID 4134116
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2-dichloro-N-pentylpropanamide
CID 12827689
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-diheptylheptanediamide
CID 5227382
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide (CID 79796676) is 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide is CCCCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide?
The InChIKey is GTPSWDFRZVIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-3-4-5-6-14-7(15)8(2,13)9(10,11)12/h3-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide has a molecular weight of 226.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide is sourced from PubChem (CID 79796676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).