(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide

C6H11F3N4 — CID 88968501

IUPAC(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide
SMILESN/C=C(C(\N)=N\CCN)/C(F)(F)F
InChIInChI=1S/C6H11F3N4/c7-6(8,9)4(3-11)5(12)13-2-1-10/h3H,1-2,10-11H2,(H2,12,13)/b4-3+
InChIKeyUNXOISGGMRCTNW-ONEGZZNKSA-N
MW196.18 g/mol
LogP-0.29
Rot. Bonds3

About (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide

(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide (PubChem CID 88968501) has the molecular formula C6H11F3N4 and a molecular weight of 196.18 g/mol. Its IUPAC name is (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide
PubChem CID88968501
Molecular FormulaC6H11F3N4
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide
SMILESN/C=C(C(\N)=N\CCN)/C(F)(F)F
InChIInChI=1S/C6H11F3N4/c7-6(8,9)4(3-11)5(12)13-2-1-10/h3H,1-2,10-11H2,(H2,12,13)/b4-3+
InChIKeyUNXOISGGMRCTNW-ONEGZZNKSA-N
XLogP-0.29
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide (CID 88968501) is (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide is N/C=C(C(\N)=N\CCN)/C(F)(F)F.
What is the InChIKey of (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide?
The InChIKey is UNXOISGGMRCTNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11F3N4/c7-6(8,9)4(3-11)5(12)13-2-1-10/h3H,1-2,10-11H2,(H2,12,13)/b4-3+.
What are the key properties of (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide?
(E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide has a molecular weight of 196.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-(2-aminoethyl)-2-(trifluoromethyl)prop-2-enimidamide is sourced from PubChem (CID 88968501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).