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

C14H22F3N3 — CID 79566030

IUPAC1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(C#N)NC1CC1)CC(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-20(10-14(15,16)17)8-6-11-3-2-7-13(11,9-18)19-12-4-5-12/h11-12,19H,2-8,10H2,1H3
InChIKeyZVANXLHDSVGXPJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.69
Rot. Bonds6

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

1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79566030) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79566030
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(C#N)NC1CC1)CC(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-20(10-14(15,16)17)8-6-11-3-2-7-13(11,9-18)19-12-4-5-12/h11-12,19H,2-8,10H2,1H3
InChIKeyZVANXLHDSVGXPJ-UHFFFAOYSA-N
XLogP2.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 65044706
1-Amino-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79564738
1-Amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79564743
1-Amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565055
2-[2-[Ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565262
1-(Methylamino)-2-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565263
1-(Ethylamino)-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565360
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565561
1-(Methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565652
1-Amino-2-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565658
2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 79565712
1-Amino-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565849

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79566030) is 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is CN(CCC1CCCC1(C#N)NC1CC1)CC(F)(F)F.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is ZVANXLHDSVGXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-20(10-14(15,16)17)8-6-11-3-2-7-13(11,9-18)19-12-4-5-12/h11-12,19H,2-8,10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).