N-benzylidene-N'-methylmethanimidamide

C9H10N2 — CID 58902554

IUPACN-benzylidene-N'-methylmethanimidamide
SMILESC/N=C/N=C/c1ccccc1
InChIInChI=1S/C9H10N2/c1-10-8-11-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-8+,11-7+
InChIKeyCPCAUDGGPQLSMZ-VTTRTIMMSA-N
MW146.19 g/mol
LogP1.76
Rot. Bonds2

About N-benzylidene-N'-methylmethanimidamide

N-benzylidene-N'-methylmethanimidamide (PubChem CID 58902554) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-benzylidene-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-benzylidene-N'-methylmethanimidamide
PubChem CID58902554
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-benzylidene-N'-methylmethanimidamide
SMILESC/N=C/N=C/c1ccccc1
InChIInChI=1S/C9H10N2/c1-10-8-11-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-8+,11-7+
InChIKeyCPCAUDGGPQLSMZ-VTTRTIMMSA-N
XLogP1.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
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-benzylidene-N'-methylmethanimidamide?
The IUPAC name of N-benzylidene-N'-methylmethanimidamide (CID 58902554) is N-benzylidene-N'-methylmethanimidamide.
What is the SMILES notation for N-benzylidene-N'-methylmethanimidamide?
The canonical SMILES for N-benzylidene-N'-methylmethanimidamide is C/N=C/N=C/c1ccccc1.
What is the InChIKey of N-benzylidene-N'-methylmethanimidamide?
The InChIKey is CPCAUDGGPQLSMZ-VTTRTIMMSA-N. The full InChI is InChI=1S/C9H10N2/c1-10-8-11-7-9-5-3-2-4-6-9/h2-8H,1H3/b10-8+,11-7+.
What are the key properties of N-benzylidene-N'-methylmethanimidamide?
N-benzylidene-N'-methylmethanimidamide has a molecular weight of 146.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-N'-methylmethanimidamide is sourced from PubChem (CID 58902554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).