1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine

C7H12N2 — CID 88874600

IUPAC1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-7(3)5-8-4/h5H,3H2,1-2,4H3/b8-5+
InChIKeyKBRXBFIRGFROQU-VMPITWQZSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

About 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine

1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine (PubChem CID 88874600) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
PubChem CID88874600
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine
SMILESC=C(/C=N/C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-7(3)5-8-4/h5H,3H2,1-2,4H3/b8-5+
InChIKeyKBRXBFIRGFROQU-VMPITWQZSA-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 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The IUPAC name of 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine (CID 88874600) is 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine.
What is the SMILES notation for 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The canonical SMILES for 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine is C=C(/C=N/C)N=C(C)C.
What is the InChIKey of 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
The InChIKey is KBRXBFIRGFROQU-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-7(3)5-8-4/h5H,3H2,1-2,4H3/b8-5+.
What are the key properties of 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine?
1-N-methyl-2-N-propan-2-ylideneprop-2-ene-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 1-N-methyl-2-N-propan-2-ylideneprop-2-ene-1,2-diimine is sourced from PubChem (CID 88874600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).