N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide

C8H16N4 — CID 142050091

IUPACN-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide
SMILES[H]/N=C(CNC)/N=C/C=C/N(C)C
InChIInChI=1S/C8H16N4/c1-10-7-8(9)11-5-4-6-12(2)3/h4-6,9-10H,7H2,1-3H3/b6-4+,9-8+,11-5+
InChIKeyZTUVTVLXMKIWHJ-SOPKCJGMSA-N
MW168.24 g/mol
LogP0.33
Rot. Bonds4

About N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide

N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide (PubChem CID 142050091) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide.

Molecular Properties

Compound NameN-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide
PubChem CID142050091
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide
SMILES[H]/N=C(CNC)/N=C/C=C/N(C)C
InChIInChI=1S/C8H16N4/c1-10-7-8(9)11-5-4-6-12(2)3/h4-6,9-10H,7H2,1-3H3/b6-4+,9-8+,11-5+
InChIKeyZTUVTVLXMKIWHJ-SOPKCJGMSA-N
XLogP0.33
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)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-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide?
The IUPAC name of N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide (CID 142050091) is N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide.
What is the SMILES notation for N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide?
The canonical SMILES for N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide is [H]/N=C(CNC)/N=C/C=C/N(C)C.
What is the InChIKey of N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide?
The InChIKey is ZTUVTVLXMKIWHJ-SOPKCJGMSA-N. The full InChI is InChI=1S/C8H16N4/c1-10-7-8(9)11-5-4-6-12(2)3/h4-6,9-10H,7H2,1-3H3/b6-4+,9-8+,11-5+.
What are the key properties of N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide?
N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide is sourced from PubChem (CID 142050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).