N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane

C8H19F3N6 — CID 144561758

IUPACN'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
SMILESCC.[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCNC
InChIInChI=1S/C6H13F3N6.C2H6/c1-13-2-3-15(12)5(11)14-4(10)6(7,8)9;1-2/h13H,2-3,12H2,1H3,(H3,10,11,14);1-2H3
InChIKeyLNIYLKMBUKGQEZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.26
Rot. Bonds3

About N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane

N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane (PubChem CID 144561758) has the molecular formula C8H19F3N6 and a molecular weight of 256.28 g/mol. Its IUPAC name is N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane.

Molecular Properties

Compound NameN'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
PubChem CID144561758
Molecular FormulaC8H19F3N6
Molecular Weight256.28 g/mol
Exact Mass256.16
IUPAC NameN'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
SMILESCC.[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCNC
InChIInChI=1S/C6H13F3N6.C2H6/c1-13-2-3-15(12)5(11)14-4(10)6(7,8)9;1-2/h13H,2-3,12H2,1H3,(H3,10,11,14);1-2H3
InChIKeyLNIYLKMBUKGQEZ-UHFFFAOYSA-N
XLogP0.26
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.26
H-Bond Donors ≤ 54
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'}

Analyze N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144894441
N'-[N-amino-N-[2-(dimethylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894450
N-[N-amino-N-(2-aminoethyl)carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
CID 176522712
N-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
CID 176547139
N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144561759
N'-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894442
N-[amino-[amino-[2-(methylamino)ethyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 147867792
N-[amino-[amino-[3-(methylamino)propyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 148972215
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'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane?
The IUPAC name of N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane (CID 144561758) is N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane.
What is the SMILES notation for N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane?
The canonical SMILES for N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane is CC.[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCNC.
What is the InChIKey of N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane?
The InChIKey is LNIYLKMBUKGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N6.C2H6/c1-13-2-3-15(12)5(11)14-4(10)6(7,8)9;1-2/h13H,2-3,12H2,1H3,(H3,10,11,14);1-2H3.
What are the key properties of N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane?
N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane has a molecular weight of 256.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-amino-N-[2-(methylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane is sourced from PubChem (CID 144561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).