N-[(E)-dimethylaminomethylideneamino]benzamide

C10H13N3O — CID 6295631

IUPACN-[(E)-dimethylaminomethylideneamino]benzamide
SMILESCN(C)/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C10H13N3O/c1-13(2)8-11-12-10(14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)/b11-8+
InChIKeyGSFGIKDRUYNWIW-DHZHZOJOSA-N
MW191.23 g/mol
LogP0.92
Rot. Bonds3

About N-[(E)-dimethylaminomethylideneamino]benzamide

N-[(E)-dimethylaminomethylideneamino]benzamide (PubChem CID 6295631) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(E)-dimethylaminomethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-dimethylaminomethylideneamino]benzamide
PubChem CID6295631
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(E)-dimethylaminomethylideneamino]benzamide
SMILESCN(C)/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C10H13N3O/c1-13(2)8-11-12-10(14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)/b11-8+
InChIKeyGSFGIKDRUYNWIW-DHZHZOJOSA-N
XLogP0.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-dimethylaminomethylideneamino]benzamide?
The IUPAC name of N-[(E)-dimethylaminomethylideneamino]benzamide (CID 6295631) is N-[(E)-dimethylaminomethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-dimethylaminomethylideneamino]benzamide?
The canonical SMILES for N-[(E)-dimethylaminomethylideneamino]benzamide is CN(C)/C=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-dimethylaminomethylideneamino]benzamide?
The InChIKey is GSFGIKDRUYNWIW-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)8-11-12-10(14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)/b11-8+.
What are the key properties of N-[(E)-dimethylaminomethylideneamino]benzamide?
N-[(E)-dimethylaminomethylideneamino]benzamide has a molecular weight of 191.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-dimethylaminomethylideneamino]benzamide is sourced from PubChem (CID 6295631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).