2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid

C7H15F3N6O3 — CID 171931704

IUPAC2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid
SMILESNCCNC(=O)C(N)N=C(N)N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H14N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3H,1-2,6-7H2,(H,10,12)(H4,8,9,11);(H,6,7)
InChIKeyCWVGCVUDOGDQOH-UHFFFAOYSA-N
MW288.23 g/mol
LogP-2.75
Rot. Bonds4

About 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid

2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 171931704) has the molecular formula C7H15F3N6O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID171931704
Molecular FormulaC7H15F3N6O3
Molecular Weight288.23 g/mol
Exact Mass288.12
IUPAC Name2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid
SMILESNCCNC(=O)C(N)N=C(N)N.O=C(O)C(F)(F)F
InChIInChI=1S/C5H14N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3H,1-2,6-7H2,(H,10,12)(H4,8,9,11);(H,6,7)
InChIKeyCWVGCVUDOGDQOH-UHFFFAOYSA-N
XLogP-2.75
TPSA182.84 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.23
LogP ≤ 5-2.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)acetamide;2,2,2-trifluoroacetic acid
CID 86698903
N-[3-(diaminomethylideneamino)propyl]acetamide;2,2,2-trifluoroacetic acid
CID 87662239
2-amino-N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 89106948
Guanidinoacetylglycine
CID 192768
2-[[2-Amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate
CID 158737545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid (CID 171931704) is 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid is NCCNC(=O)C(N)N=C(N)N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CWVGCVUDOGDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6O.C2HF3O2/c6-1-2-10-4(12)3(7)11-5(8)9;3-2(4,5)1(6)7/h3H,1-2,6-7H2,(H,10,12)(H4,8,9,11);(H,6,7).
What are the key properties of 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid?
2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 288.23 g/mol, XLogP of -2.75, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)-2-(diaminomethylideneamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171931704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).