1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine

C14H19N3 — CID 135463546

IUPAC1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine
SMILESCC(C)/N=C1\N/C(=N\C(C)C)c2ccccc21
InChIInChI=1S/C14H19N3/c1-9(2)15-13-11-7-5-6-8-12(11)14(17-13)16-10(3)4/h5-10H,1-4H3,(H,15,16,17)
InChIKeyKQLKMLZRRHBJGH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds2

About 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine

1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine (PubChem CID 135463546) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine
PubChem CID135463546
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine
SMILESCC(C)/N=C1\N/C(=N\C(C)C)c2ccccc21
InChIInChI=1S/C14H19N3/c1-9(2)15-13-11-7-5-6-8-12(11)14(17-13)16-10(3)4/h5-10H,1-4H3,(H,15,16,17)
InChIKeyKQLKMLZRRHBJGH-UHFFFAOYSA-N
XLogP2.60
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
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 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine?
The IUPAC name of 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine (CID 135463546) is 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine.
What is the SMILES notation for 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine?
The canonical SMILES for 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine is CC(C)/N=C1\N/C(=N\C(C)C)c2ccccc21.
What is the InChIKey of 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine?
The InChIKey is KQLKMLZRRHBJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)15-13-11-7-5-6-8-12(11)14(17-13)16-10(3)4/h5-10H,1-4H3,(H,15,16,17).
What are the key properties of 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine?
1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(propan-2-yl)isoindole-1,3-diimine is sourced from PubChem (CID 135463546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).