N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide

C6H12F3N3 — CID 134191908

IUPACN-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
SMILESC/N=C(\N(C)C(C)N)C(F)(F)F
InChIInChI=1S/C6H12F3N3/c1-4(10)12(3)5(11-2)6(7,8)9/h4H,10H2,1-3H3/b11-5-
InChIKeyZVWJRGLGBWGSGS-WZUFQYTHSA-N
MW183.18 g/mol
LogP0.81
Rot. Bonds1

About N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide

N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide (PubChem CID 134191908) has the molecular formula C6H12F3N3 and a molecular weight of 183.18 g/mol. Its IUPAC name is N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
PubChem CID134191908
Molecular FormulaC6H12F3N3
Molecular Weight183.18 g/mol
Exact Mass183.10
IUPAC NameN-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
SMILESC/N=C(\N(C)C(C)N)C(F)(F)F
InChIInChI=1S/C6H12F3N3/c1-4(10)12(3)5(11-2)6(7,8)9/h4H,10H2,1-3H3/b11-5-
InChIKeyZVWJRGLGBWGSGS-WZUFQYTHSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 138040806
N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 13377748
1-Ethyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362177
1-(2,2-Difluoroethyl)-2-methylguanidine
CID 79059355
N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
CID 139563760
2,2,2-trifluoro-N,N'-dimethyl-N-[1-(methylamino)ethyl]ethanimidamide
CID 139564039
ethane;N'-methyl-N-(2,2,2-trifluoroethyl)ethanimidamide
CID 143284047
1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21151823
1,2-Dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358406
1-Ethyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358599
1,2-Diethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362585
2-Ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363210

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The IUPAC name of N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide (CID 134191908) is N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The canonical SMILES for N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide is C/N=C(\N(C)C(C)N)C(F)(F)F.
What is the InChIKey of N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
The InChIKey is ZVWJRGLGBWGSGS-WZUFQYTHSA-N. The full InChI is InChI=1S/C6H12F3N3/c1-4(10)12(3)5(11-2)6(7,8)9/h4H,10H2,1-3H3/b11-5-.
What are the key properties of N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide?
N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide has a molecular weight of 183.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide is sourced from PubChem (CID 134191908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).