N-benzylidenemethanimidamide

C8H8N2 — CID 142931024

IUPACN-benzylidenemethanimidamide
SMILES[H]/N=C/N=C/c1ccccc1
InChIInChI=1S/C8H8N2/c9-7-10-6-8-4-2-1-3-5-8/h1-7,9H/b9-7+,10-6+
InChIKeyDYDVNIXTNIRRSG-IDXDHNASSA-N
MW132.17 g/mol
LogP1.71
Rot. Bonds2

About N-benzylidenemethanimidamide

N-benzylidenemethanimidamide (PubChem CID 142931024) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is N-benzylidenemethanimidamide.

Molecular Properties

Compound NameN-benzylidenemethanimidamide
PubChem CID142931024
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC NameN-benzylidenemethanimidamide
SMILES[H]/N=C/N=C/c1ccccc1
InChIInChI=1S/C8H8N2/c9-7-10-6-8-4-2-1-3-5-8/h1-7,9H/b9-7+,10-6+
InChIKeyDYDVNIXTNIRRSG-IDXDHNASSA-N
XLogP1.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-benzylidenemethanimidamide?
The IUPAC name of N-benzylidenemethanimidamide (CID 142931024) is N-benzylidenemethanimidamide.
What is the SMILES notation for N-benzylidenemethanimidamide?
The canonical SMILES for N-benzylidenemethanimidamide is [H]/N=C/N=C/c1ccccc1.
What is the InChIKey of N-benzylidenemethanimidamide?
The InChIKey is DYDVNIXTNIRRSG-IDXDHNASSA-N. The full InChI is InChI=1S/C8H8N2/c9-7-10-6-8-4-2-1-3-5-8/h1-7,9H/b9-7+,10-6+.
What are the key properties of N-benzylidenemethanimidamide?
N-benzylidenemethanimidamide has a molecular weight of 132.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidenemethanimidamide is sourced from PubChem (CID 142931024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).