N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide

C9H14N6O2 — CID 59055212

IUPACN-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide
SMILESCN(C=NN=CC=O)CN(C)C=NN=CC=O
InChIInChI=1S/C9H14N6O2/c1-14(7-12-10-3-5-16)9-15(2)8-13-11-4-6-17/h3-8H,9H2,1-2H3
InChIKeyWQLNJUROTGOFDS-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.77
Rot. Bonds8

About N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide

N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide (PubChem CID 59055212) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide.

Molecular Properties

Compound NameN-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide
PubChem CID59055212
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC NameN-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide
SMILESCN(C=NN=CC=O)CN(C)C=NN=CC=O
InChIInChI=1S/C9H14N6O2/c1-14(7-12-10-3-5-16)9-15(2)8-13-11-4-6-17/h3-8H,9H2,1-2H3
InChIKeyWQLNJUROTGOFDS-UHFFFAOYSA-N
XLogP-0.77
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide?
The IUPAC name of N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide (CID 59055212) is N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide.
What is the SMILES notation for N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide?
The canonical SMILES for N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide is CN(C=NN=CC=O)CN(C)C=NN=CC=O.
What is the InChIKey of N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide?
The InChIKey is WQLNJUROTGOFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-14(7-12-10-3-5-16)9-15(2)8-13-11-4-6-17/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide?
N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide has a molecular weight of 238.25 g/mol, XLogP of -0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[methyl-[(2-oxoethylidenehydrazinylidene)methyl]amino]methyl]-N'-(2-oxoethylideneamino)methanimidamide is sourced from PubChem (CID 59055212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).