2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C11H19F3N2O — CID 64822618

IUPAC2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCC1N
InChIInChI=1S/C11H19F3N2O/c1-2-6-16(7-11(12,13)14)10(17)8-4-3-5-9(8)15/h8-9H,2-7,15H2,1H3
InChIKeyICSKVNIWXSNUJR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 64822618) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID64822618
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCC1N
InChIInChI=1S/C11H19F3N2O/c1-2-6-16(7-11(12,13)14)10(17)8-4-3-5-9(8)15/h8-9H,2-7,15H2,1H3
InChIKeyICSKVNIWXSNUJR-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 64822618) is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is ICSKVNIWXSNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-6-16(7-11(12,13)14)10(17)8-4-3-5-9(8)15/h8-9H,2-7,15H2,1H3.
What are the key properties of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64822618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).