1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide

C13H24F3N3O — CID 79564320

IUPAC1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CCC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-18-12(11(17)20)6-3-4-10(12)5-8-19(2)9-7-13(14,15)16/h10,18H,3-9H2,1-2H3,(H2,17,20)
InChIKeyKVLGVDXLQCZUGA-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.50
Rot. Bonds7

About 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79564320) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79564320
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CCC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-18-12(11(17)20)6-3-4-10(12)5-8-19(2)9-7-13(14,15)16/h10,18H,3-9H2,1-2H3,(H2,17,20)
InChIKeyKVLGVDXLQCZUGA-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide (CID 79564320) is 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN(C)CCC(F)(F)F.
What is the InChIKey of 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is KVLGVDXLQCZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-18-12(11(17)20)6-3-4-10(12)5-8-19(2)9-7-13(14,15)16/h10,18H,3-9H2,1-2H3,(H2,17,20).
What are the key properties of 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79564320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).