1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide

C13H22F3N3O — CID 60856647

IUPAC1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-3-10(8-19)7-18-11(20)12(17)4-1-2-5-12/h10H,1-9,17H2,(H,18,20)
InChIKeyHYNYKLLPRCCZNU-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.26
Rot. Bonds4

About 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 60856647) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID60856647
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-3-10(8-19)7-18-11(20)12(17)4-1-2-5-12/h10H,1-9,17H2,(H,18,20)
InChIKeyHYNYKLLPRCCZNU-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 60856647) is 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1.
What is the InChIKey of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is HYNYKLLPRCCZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-3-10(8-19)7-18-11(20)12(17)4-1-2-5-12/h10H,1-9,17H2,(H,18,20).
What are the key properties of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60856647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).