2-(1-aminoethylidene)-3-N'-methylpropanediimidamide

C6H13N5 — CID 162382022

IUPAC2-(1-aminoethylidene)-3-N'-methylpropanediimidamide
SMILES[H]/N=C(\N)C(=C(C)N)/C(N)=N/C
InChIInChI=1S/C6H13N5/c1-3(7)4(5(8)9)6(10)11-2/h7H2,1-2H3,(H3,8,9)(H2,10,11)
InChIKeyJKKJVRJQHATIOM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.86
Rot. Bonds2

About 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide

2-(1-aminoethylidene)-3-N'-methylpropanediimidamide (PubChem CID 162382022) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide.

Molecular Properties

Compound Name2-(1-aminoethylidene)-3-N'-methylpropanediimidamide
PubChem CID162382022
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-(1-aminoethylidene)-3-N'-methylpropanediimidamide
SMILES[H]/N=C(\N)C(=C(C)N)/C(N)=N/C
InChIInChI=1S/C6H13N5/c1-3(7)4(5(8)9)6(10)11-2/h7H2,1-2H3,(H3,8,9)(H2,10,11)
InChIKeyJKKJVRJQHATIOM-UHFFFAOYSA-N
XLogP-0.86
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide 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 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide?
The IUPAC name of 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide (CID 162382022) is 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide.
What is the SMILES notation for 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide?
The canonical SMILES for 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide is [H]/N=C(\N)C(=C(C)N)/C(N)=N/C.
What is the InChIKey of 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide?
The InChIKey is JKKJVRJQHATIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3(7)4(5(8)9)6(10)11-2/h7H2,1-2H3,(H3,8,9)(H2,10,11).
What are the key properties of 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide?
2-(1-aminoethylidene)-3-N'-methylpropanediimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylidene)-3-N'-methylpropanediimidamide is sourced from PubChem (CID 162382022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).