N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide

C11H16N4 — CID 158601367

IUPACN'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
SMILES[2H]c1ccc([2H])c(CC/N=C(\N)N=C(C)N)c1[2H]
InChIInChI=1S/C11H16N4/c1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,12,13,14,15)/i3D,5D,6D
InChIKeyRHNOFMBNSFLJPW-LPZFHNFMSA-N
MW207.30 g/mol
LogP0.92
Rot. Bonds3

About N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide

N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide (PubChem CID 158601367) has the molecular formula C11H16N4 and a molecular weight of 207.30 g/mol. Its IUPAC name is N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide.

Molecular Properties

Compound NameN'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
PubChem CID158601367
Molecular FormulaC11H16N4
Molecular Weight207.30 g/mol
Exact Mass207.16
IUPAC NameN'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
SMILES[2H]c1ccc([2H])c(CC/N=C(\N)N=C(C)N)c1[2H]
InChIInChI=1S/C11H16N4/c1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,12,13,14,15)/i3D,5D,6D
InChIKeyRHNOFMBNSFLJPW-LPZFHNFMSA-N
XLogP0.92
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide 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'-[2-(2,3,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 158601369
N'-[N'-[2-(2,3,4-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160766309
N'-[N'-[2-deuterio-2-(2,3,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160503693
N'-[N'-[1,1-dideuterio-2-(2,4,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 162173254
N'-[N'-[2,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 162173255
N'-[N'-[2-deuterio-2-(2,4-dideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160766298
N'-[N'-[2,2-dideuterio-2-(2-deuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 158601375
N'-[N'-[2-deuterio-2-(2,3,4,5-tetradeuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160503770
N'-[N'-[2,2-dideuterio-2-(2,3,4-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160503733
N-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 176523373
N'-[N'-[1-deuterio-2-(3,4,5-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160503687
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The IUPAC name of N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide (CID 158601367) is N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide.
What is the SMILES notation for N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The canonical SMILES for N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide is [2H]c1ccc([2H])c(CC/N=C(\N)N=C(C)N)c1[2H].
What is the InChIKey of N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
The InChIKey is RHNOFMBNSFLJPW-LPZFHNFMSA-N. The full InChI is InChI=1S/C11H16N4/c1-9(12)15-11(13)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,12,13,14,15)/i3D,5D,6D.
What are the key properties of N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide?
N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide has a molecular weight of 207.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[2-(2,3,6-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide is sourced from PubChem (CID 158601367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).