2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine

C7H12N2 — CID 89038751

IUPAC2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine
SMILESC=C(C)/N=C/C(C)=N/C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-7(3)8-4/h5H,1H2,2-4H3/b8-7+,9-5+
InChIKeyHXBGRVNUHKQRGM-DMQCZMPNSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

About 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine

2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine (PubChem CID 89038751) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine.

Molecular Properties

Compound Name2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine
PubChem CID89038751
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine
SMILESC=C(C)/N=C/C(C)=N/C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-7(3)8-4/h5H,1H2,2-4H3/b8-7+,9-5+
InChIKeyHXBGRVNUHKQRGM-DMQCZMPNSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
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 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine?
The IUPAC name of 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine (CID 89038751) is 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine.
What is the SMILES notation for 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine?
The canonical SMILES for 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine is C=C(C)/N=C/C(C)=N/C.
What is the InChIKey of 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine?
The InChIKey is HXBGRVNUHKQRGM-DMQCZMPNSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-5-7(3)8-4/h5H,1H2,2-4H3/b8-7+,9-5+.
What are the key properties of 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine?
2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-prop-1-en-2-ylpropane-1,2-diimine is sourced from PubChem (CID 89038751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).