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

C13H20F3N3 — CID 79565055

IUPAC1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-19(11-3-4-11)7-5-10-2-1-6-12(10,18)8-17/h10-11H,1-7,9,18H2
InChIKeySGNCOTOZCXAWKR-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.42
Rot. Bonds5

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

1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79565055) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79565055
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)9-19(11-3-4-11)7-5-10-2-1-6-12(10,18)8-17/h10-11H,1-7,9,18H2
InChIKeySGNCOTOZCXAWKR-UHFFFAOYSA-N
XLogP2.42
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 65892832
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
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
1-Amino-2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565849
1-(Ethylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565936
1-(Methylamino)-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565939

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79565055) is 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is SGNCOTOZCXAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c14-13(15,16)9-19(11-3-4-11)7-5-10-2-1-6-12(10,18)8-17/h10-11H,1-7,9,18H2.
What are the key properties of 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).