2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

C13H23F3N2O — CID 43712688

IUPAC2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(C)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-8(2)7-11(17)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyJPKDHBPDTNWTSK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 43712688) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID43712688
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(C)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-8(2)7-11(17)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyJPKDHBPDTNWTSK-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 43712688) is 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is CC(C)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is JPKDHBPDTNWTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8(2)7-11(17)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 43712688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).