N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

C13H22F3N5 — CID 62428767

IUPACN-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)N(CCn1cc(CNC2CC2)nn1)CC(F)(F)F
InChIInChI=1S/C13H22F3N5/c1-10(2)20(9-13(14,15)16)5-6-21-8-12(18-19-21)7-17-11-3-4-11/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyYDTGDZUEMCQYCM-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.80
Rot. Bonds8

About N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62428767) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62428767
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC NameN-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)N(CCn1cc(CNC2CC2)nn1)CC(F)(F)F
InChIInChI=1S/C13H22F3N5/c1-10(2)20(9-13(14,15)16)5-6-21-8-12(18-19-21)7-17-11-3-4-11/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyYDTGDZUEMCQYCM-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906024
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62427792
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
CID 82753893
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62428767) is N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CC(C)N(CCn1cc(CNC2CC2)nn1)CC(F)(F)F.
What is the InChIKey of N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YDTGDZUEMCQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-10(2)20(9-13(14,15)16)5-6-21-8-12(18-19-21)7-17-11-3-4-11/h8,10-11,17H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 305.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62428767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).