N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide

C7H15F3N6 — CID 147867792

IUPACN-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)CCNC)C(F)(F)F
InChIInChI=1S/C7H15F3N6/c1-13-3-4-16(12)6(11)15-5(14-2)7(8,9)10/h13H,3-4,12H2,1-2H3,(H2,11,14,15)
InChIKeyHXZYVKKMSFMWLC-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.71
Rot. Bonds3

About N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide

N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 147867792) has the molecular formula C7H15F3N6 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID147867792
Molecular FormulaC7H15F3N6
Molecular Weight240.23 g/mol
Exact Mass240.13
IUPAC NameN-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)CCNC)C(F)(F)F
InChIInChI=1S/C7H15F3N6/c1-13-3-4-16(12)6(11)15-5(14-2)7(8,9)10/h13H,3-4,12H2,1-2H3,(H2,11,14,15)
InChIKeyHXZYVKKMSFMWLC-UHFFFAOYSA-N
XLogP-0.71
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (CID 147867792) is N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is C/N=C(/N=C(\N)N(N)CCNC)C(F)(F)F.
What is the InChIKey of N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is HXZYVKKMSFMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N6/c1-13-3-4-16(12)6(11)15-5(14-2)7(8,9)10/h13H,3-4,12H2,1-2H3,(H2,11,14,15).
What are the key properties of N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 240.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 147867792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).