N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide

C7H12F3N3 — CID 139563760

IUPACN-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)C(C)N)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-4-12-6(7(8,9)10)13(3)5(2)11/h4-5H,1,11H2,2-3H3/b12-6-
InChIKeyASIBFSYUMWOUKM-SDQBBNPISA-N
MW195.19 g/mol
LogP1.33
Rot. Bonds2

About N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide

N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide (PubChem CID 139563760) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
PubChem CID139563760
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC NameN-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)C(C)N)C(F)(F)F
InChIInChI=1S/C7H12F3N3/c1-4-12-6(7(8,9)10)13(3)5(2)11/h4-5H,1,11H2,2-3H3/b12-6-
InChIKeyASIBFSYUMWOUKM-SDQBBNPISA-N
XLogP1.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.33
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

N'-ethenyl-2,2,2-trifluoroethanimidamide
CID 134560294
3-ethenylimino-4-fluoropent-4-en-2-amine
CID 170619288
N'-ethenyl-N,N,2-trimethylpropanimidamide
CID 142276539
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 167040136
N-(1-aminoethyl)-N-methylethanethioamide
CID 155041594
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
(E)-3-amino-N'-ethenyl-N-(methylideneamino)-N-propan-2-ylprop-2-enimidamide
CID 90437273
N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460
N'-ethenyl-2-methylbutanimidamide
CID 155258668
N'-ethenyl-3-methyl-N-methylidenebutanimidamide
CID 178151525
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
CID 176715255

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The IUPAC name of N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide (CID 139563760) is N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide.
What is the SMILES notation for N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The canonical SMILES for N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide is C=C/N=C(\N(C)C(C)N)C(F)(F)F.
What is the InChIKey of N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The InChIKey is ASIBFSYUMWOUKM-SDQBBNPISA-N. The full InChI is InChI=1S/C7H12F3N3/c1-4-12-6(7(8,9)10)13(3)5(2)11/h4-5H,1,11H2,2-3H3/b12-6-.
What are the key properties of N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide has a molecular weight of 195.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide is sourced from PubChem (CID 139563760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).