1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C13H23F3N2O — CID 54872186

IUPAC1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)7-5-6-8-12/h10H,3-9,17H2,1-2H3
InChIKeyGSAUZFLWPVRSKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds5

About 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 54872186) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID54872186
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)7-5-6-8-12/h10H,3-9,17H2,1-2H3
InChIKeyGSAUZFLWPVRSKD-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 54872186) is 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is GSAUZFLWPVRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)7-5-6-8-12/h10H,3-9,17H2,1-2H3.
What are the key properties of 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 54872186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).