N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine

C11H10N2 — CID 151191541

IUPACN'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
SMILESC#CCN=C=Nc1cccc(C)c1
InChIInChI=1S/C11H10N2/c1-3-7-12-9-13-11-6-4-5-10(2)8-11/h1,4-6,8H,7H2,2H3
InChIKeyNGKLZIZEGSTQJB-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.43
Rot. Bonds2

About N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine

N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine (PubChem CID 151191541) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
PubChem CID151191541
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC NameN'-(3-methylphenyl)-N-prop-2-ynylmethanediimine
SMILESC#CCN=C=Nc1cccc(C)c1
InChIInChI=1S/C11H10N2/c1-3-7-12-9-13-11-6-4-5-10(2)8-11/h1,4-6,8H,7H2,2H3
InChIKeyNGKLZIZEGSTQJB-UHFFFAOYSA-N
XLogP2.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine?
The IUPAC name of N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine (CID 151191541) is N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine.
What is the SMILES notation for N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine?
The canonical SMILES for N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine is C#CCN=C=Nc1cccc(C)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine?
The InChIKey is NGKLZIZEGSTQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-7-12-9-13-11-6-4-5-10(2)8-11/h1,4-6,8H,7H2,2H3.
What are the key properties of N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine?
N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine has a molecular weight of 170.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-prop-2-ynylmethanediimine is sourced from PubChem (CID 151191541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).