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

C7H14F3N5 — CID 155130438

IUPACN-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N5/c1-4(2)15(12)6(11)14-5(13-3)7(8,9)10/h4H,12H2,1-3H3,(H2,11,13,14)
InChIKeyJHFSNCHBLORPTE-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.48
Rot. Bonds1

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

N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 155130438) has the molecular formula C7H14F3N5 and a molecular weight of 225.22 g/mol. Its IUPAC name is N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID155130438
Molecular FormulaC7H14F3N5
Molecular Weight225.22 g/mol
Exact Mass225.12
IUPAC NameN-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(/N=C(\N)N(N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N5/c1-4(2)15(12)6(11)14-5(13-3)7(8,9)10/h4H,12H2,1-3H3,(H2,11,13,14)
InChIKeyJHFSNCHBLORPTE-UHFFFAOYSA-N
XLogP0.48
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.48
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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Related Compounds

N-[amino-[amino(ethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 155130415
N-(N-amino-N-propan-2-ylcarbamimidoyl)-2,2,2-trifluoro-N'-methylethanimidamide
CID 176547141
N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144561771
N-[amino-[amino(2-aminoethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 149586609

Frequently Asked Questions

What is the IUPAC name of N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide (CID 155130438) is N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is C/N=C(/N=C(\N)N(N)C(C)C)C(F)(F)F.
What is the InChIKey of N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is JHFSNCHBLORPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5/c1-4(2)15(12)6(11)14-5(13-3)7(8,9)10/h4H,12H2,1-3H3,(H2,11,13,14).
What are the key properties of N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 225.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[amino(propan-2-yl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 155130438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).