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

C14H24F3N3O — CID 81494442

IUPAC1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-6-3-11(8-20)7-19-12(21)13(9-18)4-1-2-5-13/h11H,1-10,18H2,(H,19,21)
InChIKeyOLZZKQVRVZYPRJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.51
Rot. Bonds5

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

1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 81494442) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
PubChem CID81494442
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-6-3-11(8-20)7-19-12(21)13(9-18)4-1-2-5-13/h11H,1-10,18H2,(H,19,21)
InChIKeyOLZZKQVRVZYPRJ-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide (CID 81494442) is 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is NCC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is OLZZKQVRVZYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)10-20-6-3-11(8-20)7-19-12(21)13(9-18)4-1-2-5-13/h11H,1-10,18H2,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81494442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).