N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H19F3N4 — CID 107500820

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1cn(CCN)cn1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-9(2)18(7-11(12,13)14)6-10-5-17(4-3-15)8-16-10/h5,8-9H,3-4,6-7,15H2,1-2H3
InChIKeyOVKMIJIGUIVEGQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.61
Rot. Bonds6

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 107500820) has the molecular formula C11H19F3N4 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID107500820
Molecular FormulaC11H19F3N4
Molecular Weight264.30 g/mol
Exact Mass264.16
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1cn(CCN)cn1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-9(2)18(7-11(12,13)14)6-10-5-17(4-3-15)8-16-10/h5,8-9H,3-4,6-7,15H2,1-2H3
InChIKeyOVKMIJIGUIVEGQ-UHFFFAOYSA-N
XLogP1.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 107500803
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 107500828
1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 107496986
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
CID 107500773

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 107500820) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1cn(CCN)cn1)CC(F)(F)F.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is OVKMIJIGUIVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-9(2)18(7-11(12,13)14)6-10-5-17(4-3-15)8-16-10/h5,8-9H,3-4,6-7,15H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 264.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 107500820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).