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

C13H22F3N3 — CID 79564743

IUPAC1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)N(CCC1CCCC1(N)C#N)CC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-10(2)19(9-13(14,15)16)7-5-11-4-3-6-12(11,18)8-17/h10-11H,3-7,9,18H2,1-2H3
InChIKeySEZSOCVXUXUBSB-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.67
Rot. Bonds5

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

1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79564743) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79564743
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)N(CCC1CCCC1(N)C#N)CC(F)(F)F
InChIInChI=1S/C13H22F3N3/c1-10(2)19(9-13(14,15)16)7-5-11-4-3-6-12(11,18)8-17/h10-11H,3-7,9,18H2,1-2H3
InChIKeySEZSOCVXUXUBSB-UHFFFAOYSA-N
XLogP2.67
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79564743) is 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is CC(C)N(CCC1CCCC1(N)C#N)CC(F)(F)F.
What is the InChIKey of 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is SEZSOCVXUXUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-10(2)19(9-13(14,15)16)7-5-11-4-3-6-12(11,18)8-17/h10-11H,3-7,9,18H2,1-2H3.
What are the key properties of 1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.67, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79564743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).