2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide

C13H25F3N2O — CID 54872172

IUPAC2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C13H25F3N2O/c1-4-7-8-11(17)12(19)18(9-13(14,15)16)10(5-2)6-3/h10-11H,4-9,17H2,1-3H3
InChIKeyUODKDAULYTVNGY-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.08
Rot. Bonds8

About 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide

2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 54872172) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID54872172
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C13H25F3N2O/c1-4-7-8-11(17)12(19)18(9-13(14,15)16)10(5-2)6-3/h10-11H,4-9,17H2,1-3H3
InChIKeyUODKDAULYTVNGY-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 54872172) is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCCCC(N)C(=O)N(CC(F)(F)F)C(CC)CC.
What is the InChIKey of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is UODKDAULYTVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-4-7-8-11(17)12(19)18(9-13(14,15)16)10(5-2)6-3/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 282.35 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 54872172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).