2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide

C9H19N5O — CID 90245824

IUPAC2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N/C=N/CCN(C)C
InChIInChI=1S/C9H19N5O/c1-10-9(15)6-12-8-13-7-11-4-5-14(2)3/h7-8H,4-6H2,1-3H3,(H,10,15)(H,11,12,13)
InChIKeyMJONJOKZTFQLQD-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.06
Rot. Bonds7

About 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide

2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide (PubChem CID 90245824) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide
PubChem CID90245824
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide
SMILESCNC(=O)C/N=C/N/C=N/CCN(C)C
InChIInChI=1S/C9H19N5O/c1-10-9(15)6-12-8-13-7-11-4-5-14(2)3/h7-8H,4-6H2,1-3H3,(H,10,15)(H,11,12,13)
InChIKeyMJONJOKZTFQLQD-UHFFFAOYSA-N
XLogP-1.06
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide (CID 90245824) is 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide is CNC(=O)C/N=C/N/C=N/CCN(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide?
The InChIKey is MJONJOKZTFQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-10-9(15)6-12-8-13-7-11-4-5-14(2)3/h7-8H,4-6H2,1-3H3,(H,10,15)(H,11,12,13).
What are the key properties of 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide?
2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide has a molecular weight of 213.28 g/mol, XLogP of -1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylacetamide is sourced from PubChem (CID 90245824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).