2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine

C7H12N2 — CID 90956703

IUPAC2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=CN=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-7(3)4-8/h4-5,8H,1-3H3/b7-5?,8-4+
InChIKeyYUVPAOJYUVMEHR-QQLSPEJLSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine

2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine (PubChem CID 90956703) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine
PubChem CID90956703
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=CN=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-7(3)4-8/h4-5,8H,1-3H3/b7-5?,8-4+
InChIKeyYUVPAOJYUVMEHR-QQLSPEJLSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The IUPAC name of 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine (CID 90956703) is 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The canonical SMILES for 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine is [H]/N=C/C(C)=CN=C(C)C.
What is the InChIKey of 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The InChIKey is YUVPAOJYUVMEHR-QQLSPEJLSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-5-7(3)4-8/h4-5,8H,1-3H3/b7-5?,8-4+.
What are the key properties of 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 90956703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).