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

C11H19F3N2O — CID 60944874

IUPAC1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)9(17)10(15)5-3-4-6-10/h2-8,15H2,1H3
InChIKeyRABAOOZMQFPHND-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.06
Rot. Bonds4

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

1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 60944874) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID60944874
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)9(17)10(15)5-3-4-6-10/h2-8,15H2,1H3
InChIKeyRABAOOZMQFPHND-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 60944874) is 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is RABAOOZMQFPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-7-16(8-11(12,13)14)9(17)10(15)5-3-4-6-10/h2-8,15H2,1H3.
What are the key properties of 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60944874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).