2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C14H24F3N3 — CID 79565561

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-11(2)19-13(9-18)7-4-5-12(13)6-8-20(3)10-14(15,16)17/h11-12,19H,4-8,10H2,1-3H3
InChIKeyBDWGBHWMWRRCSS-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.93
Rot. Bonds6

About 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79565561) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79565561
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H24F3N3/c1-11(2)19-13(9-18)7-4-5-12(13)6-8-20(3)10-14(15,16)17/h11-12,19H,4-8,10H2,1-3H3
InChIKeyBDWGBHWMWRRCSS-UHFFFAOYSA-N
XLogP2.93
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79565561) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is BDWGBHWMWRRCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-11(2)19-13(9-18)7-4-5-12(13)6-8-20(3)10-14(15,16)17/h11-12,19H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).