N-methyl-N'-phenylethane-1,2-diimine

C9H10N2 — CID 21014566

IUPACN-methyl-N'-phenylethane-1,2-diimine
SMILESC/N=C/C=N/c1ccccc1
InChIInChI=1S/C9H10N2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8+
InChIKeyXTONXRQAFPDHBK-AMMQDNIMSA-N
MW146.19 g/mol
LogP2.09
Rot. Bonds2

About N-methyl-N'-phenylethane-1,2-diimine

N-methyl-N'-phenylethane-1,2-diimine (PubChem CID 21014566) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-methyl-N'-phenylethane-1,2-diimine.

Molecular Properties

Compound NameN-methyl-N'-phenylethane-1,2-diimine
PubChem CID21014566
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-methyl-N'-phenylethane-1,2-diimine
SMILESC/N=C/C=N/c1ccccc1
InChIInChI=1S/C9H10N2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8+
InChIKeyXTONXRQAFPDHBK-AMMQDNIMSA-N
XLogP2.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-phenylethane-1,2-diimine?
The IUPAC name of N-methyl-N'-phenylethane-1,2-diimine (CID 21014566) is N-methyl-N'-phenylethane-1,2-diimine.
What is the SMILES notation for N-methyl-N'-phenylethane-1,2-diimine?
The canonical SMILES for N-methyl-N'-phenylethane-1,2-diimine is C/N=C/C=N/c1ccccc1.
What is the InChIKey of N-methyl-N'-phenylethane-1,2-diimine?
The InChIKey is XTONXRQAFPDHBK-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H10N2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-8H,1H3/b10-7+,11-8+.
What are the key properties of N-methyl-N'-phenylethane-1,2-diimine?
N-methyl-N'-phenylethane-1,2-diimine has a molecular weight of 146.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-phenylethane-1,2-diimine is sourced from PubChem (CID 21014566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).