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

C14H24F3N3O — CID 82763585

IUPAC2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1N
InChIInChI=1S/C14H24F3N3O/c1-13(5-2-3-11(13)18)12(21)19-7-10-4-6-20(8-10)9-14(15,16)17/h10-11H,2-9,18H2,1H3,(H,19,21)
InChIKeyPYGXPWZRIHKQRH-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.50
Rot. Bonds4

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

2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 82763585) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID82763585
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1N
InChIInChI=1S/C14H24F3N3O/c1-13(5-2-3-11(13)18)12(21)19-7-10-4-6-20(8-10)9-14(15,16)17/h10-11H,2-9,18H2,1H3,(H,19,21)
InChIKeyPYGXPWZRIHKQRH-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 82763585) is 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is CC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is PYGXPWZRIHKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-13(5-2-3-11(13)18)12(21)19-7-10-4-6-20(8-10)9-14(15,16)17/h10-11H,2-9,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82763585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).