N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide

C7H16N4 — CID 123163425

IUPACN-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)/C(N)=N/CC
InChIInChI=1S/C7H16N4/c1-4-10-7(9)11(5-2)6(3)8/h8H,4-5H2,1-3H3,(H2,9,10)/b8-6+
InChIKeyWXDLFHAXWDSWKJ-SOFGYWHQSA-N
MW156.23 g/mol
LogP0.64
Rot. Bonds2

About N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide

N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide (PubChem CID 123163425) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide
PubChem CID123163425
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)/C(N)=N/CC
InChIInChI=1S/C7H16N4/c1-4-10-7(9)11(5-2)6(3)8/h8H,4-5H2,1-3H3,(H2,9,10)/b8-6+
InChIKeyWXDLFHAXWDSWKJ-SOFGYWHQSA-N
XLogP0.64
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide?
The IUPAC name of N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide (CID 123163425) is N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide?
The canonical SMILES for N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide is [H]/N=C(\C)N(CC)/C(N)=N/CC.
What is the InChIKey of N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide?
The InChIKey is WXDLFHAXWDSWKJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N4/c1-4-10-7(9)11(5-2)6(3)8/h8H,4-5H2,1-3H3,(H2,9,10)/b8-6+.
What are the key properties of N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide?
N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(N'-ethylcarbamimidoyl)ethanimidamide is sourced from PubChem (CID 123163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).