1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide

C14H26F3N3O — CID 79565731

IUPAC1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H26F3N3O/c1-10(2)20(9-14(15,16)17)8-6-11-5-4-7-13(11,19-3)12(18)21/h10-11,19H,4-9H2,1-3H3,(H2,18,21)
InChIKeyWNFSWMWKEVQNDW-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.89
Rot. Bonds7

About 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79565731) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79565731
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H26F3N3O/c1-10(2)20(9-14(15,16)17)8-6-11-5-4-7-13(11,19-3)12(18)21/h10-11,19H,4-9H2,1-3H3,(H2,18,21)
InChIKeyWNFSWMWKEVQNDW-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide (CID 79565731) is 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is WNFSWMWKEVQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-10(2)20(9-14(15,16)17)8-6-11-5-4-7-13(11,19-3)12(18)21/h10-11,19H,4-9H2,1-3H3,(H2,18,21).
What are the key properties of 1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 1.89, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79565731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).