5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

C9H17F3N2O — CID 82012105

IUPAC5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(CN)CCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-13)3-4-8(15)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyYECJIDOBTLFAGM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.38
Rot. Bonds5

About 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 82012105) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID82012105
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(CN)CCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-13)3-4-8(15)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyYECJIDOBTLFAGM-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 82012105) is 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(CN)CCC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is YECJIDOBTLFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(5-13)3-4-8(15)14(2)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 226.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 82012105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).