N'-propan-2-ylmethanediimine

C4H8N2 — CID 19917292

IUPACN'-propan-2-ylmethanediimine
SMILESCC(C)N=C=N
InChIInChI=1S/C4H8N2/c1-4(2)6-3-5/h4-5H,1-2H3
InChIKeyUPXAZUFKXWLNMF-UHFFFAOYSA-N
MW84.12 g/mol
LogP1.15
Rot. Bonds1

About N'-propan-2-ylmethanediimine

N'-propan-2-ylmethanediimine (PubChem CID 19917292) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N'-propan-2-ylmethanediimine.

Molecular Properties

Compound NameN'-propan-2-ylmethanediimine
PubChem CID19917292
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN'-propan-2-ylmethanediimine
SMILESCC(C)N=C=N
InChIInChI=1S/C4H8N2/c1-4(2)6-3-5/h4-5H,1-2H3
InChIKeyUPXAZUFKXWLNMF-UHFFFAOYSA-N
XLogP1.15
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.15
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 N'-propan-2-ylmethanediimine?
The IUPAC name of N'-propan-2-ylmethanediimine (CID 19917292) is N'-propan-2-ylmethanediimine.
What is the SMILES notation for N'-propan-2-ylmethanediimine?
The canonical SMILES for N'-propan-2-ylmethanediimine is CC(C)N=C=N.
What is the InChIKey of N'-propan-2-ylmethanediimine?
The InChIKey is UPXAZUFKXWLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(2)6-3-5/h4-5H,1-2H3.
What are the key properties of N'-propan-2-ylmethanediimine?
N'-propan-2-ylmethanediimine has a molecular weight of 84.12 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylmethanediimine is sourced from PubChem (CID 19917292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).