2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide

C13H26F3N3O — CID 79797225

IUPAC2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H26F3N3O/c1-5-19(6-2)9-7-8-10(3)18-11(20)12(4,17)13(14,15)16/h10H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyILOIYPMKYAUHPX-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.89
Rot. Bonds8

About 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797225) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797225
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H26F3N3O/c1-5-19(6-2)9-7-8-10(3)18-11(20)12(4,17)13(14,15)16/h10H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyILOIYPMKYAUHPX-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide (CID 79797225) is 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide is CCN(CC)CCCC(C)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is ILOIYPMKYAUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-5-19(6-2)9-7-8-10(3)18-11(20)12(4,17)13(14,15)16/h10H,5-9,17H2,1-4H3,(H,18,20).
What are the key properties of 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).