(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide

C15H22F3N3O — CID 68650829

IUPAC(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide
SMILESCN(C)C(=O)[C@H](CCCCN)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O/c1-21(2)14(22)13(8-3-4-9-19)20-12-7-5-6-11(10-12)15(16,17)18/h5-7,10,13,20H,3-4,8-9,19H2,1-2H3/t13-/m0/s1
InChIKeyZUDNWNHSHKBOAX-ZDUSSCGKSA-N
MW317.36 g/mol
LogP2.70
Rot. Bonds7

About (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide

(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide (PubChem CID 68650829) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide
PubChem CID68650829
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide
SMILESCN(C)C(=O)[C@H](CCCCN)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O/c1-21(2)14(22)13(8-3-4-9-19)20-12-7-5-6-11(10-12)15(16,17)18/h5-7,10,13,20H,3-4,8-9,19H2,1-2H3/t13-/m0/s1
InChIKeyZUDNWNHSHKBOAX-ZDUSSCGKSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.70
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

(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
CID 66859861
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
(2R)-6-amino-N-(2-amino-5-cyano-6-ethoxypyrimidin-4-yl)-2-[3-(trifluoromethyl)anilino]hexanamide
CID 66859667
methyl (2S)-3-phenyl-2-[3-(trifluoromethyl)anilino]propanoate
CID 162417638
1-(6-aminohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 107844330
1-N'-[3-(trifluoromethyl)phenyl]hexane-1,1-diamine;dihydrochloride
CID 70300182
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
(2R)-6-amino-2-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]hexanamide;methane
CID 160628786
(2S)-6-amino-2-(2-deuterio-3-methylanilino)hexanoic acid
CID 142634333
6-amino-2-[[3-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 104681546
(2S)-3-fluoro-2-[3-(trifluoromethyl)anilino]butanoic acid
CID 67368661

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide?
The IUPAC name of (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide (CID 68650829) is (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide.
What is the SMILES notation for (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide?
The canonical SMILES for (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide is CN(C)C(=O)[C@H](CCCCN)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide?
The InChIKey is ZUDNWNHSHKBOAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-21(2)14(22)13(8-3-4-9-19)20-12-7-5-6-11(10-12)15(16,17)18/h5-7,10,13,20H,3-4,8-9,19H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide?
(2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide has a molecular weight of 317.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-N,N-dimethyl-2-[3-(trifluoromethyl)anilino]hexanamide is sourced from PubChem (CID 68650829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).