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

C6H12F3N5 — CID 155130415

IUPACN-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESCCN(N)/C(N)=N/C(=N/C)C(F)(F)F
InChIInChI=1S/C6H12F3N5/c1-3-14(11)5(10)13-4(12-2)6(7,8)9/h3,11H2,1-2H3,(H2,10,12,13)
InChIKeyKBWDWIPPJHAIGJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.09
Rot. Bonds1

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

N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 155130415) has the molecular formula C6H12F3N5 and a molecular weight of 211.19 g/mol. Its IUPAC name is N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID155130415
Molecular FormulaC6H12F3N5
Molecular Weight211.19 g/mol
Exact Mass211.10
IUPAC NameN-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESCCN(N)/C(N)=N/C(=N/C)C(F)(F)F
InChIInChI=1S/C6H12F3N5/c1-3-14(11)5(10)13-4(12-2)6(7,8)9/h3,11H2,1-2H3,(H2,10,12,13)
InChIKeyKBWDWIPPJHAIGJ-UHFFFAOYSA-N
XLogP0.09
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (CID 155130415) is N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is CCN(N)/C(N)=N/C(=N/C)C(F)(F)F.
What is the InChIKey of N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is KBWDWIPPJHAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N5/c1-3-14(11)5(10)13-4(12-2)6(7,8)9/h3,11H2,1-2H3,(H2,10,12,13).
What are the key properties of N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 211.19 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 155130415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).