4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C13H21F3N2O — CID 79210889

IUPAC4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21F3N2O/c1-3-11(4-2)18(8-13(14,15)16)12(19)9-5-6-10(17)7-9/h5-6,9-11H,3-4,7-8,17H2,1-2H3
InChIKeyTULNGQILKDVULY-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210889) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210889
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21F3N2O/c1-3-11(4-2)18(8-13(14,15)16)12(19)9-5-6-10(17)7-9/h5-6,9-11H,3-4,7-8,17H2,1-2H3
InChIKeyTULNGQILKDVULY-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79210889) is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is TULNGQILKDVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-3-11(4-2)18(8-13(14,15)16)12(19)9-5-6-10(17)7-9/h5-6,9-11H,3-4,7-8,17H2,1-2H3.
What are the key properties of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).