propane-1,3-diimine

C3H6N2 — CID 18934492

IUPACpropane-1,3-diimine
SMILES[H]/N=C/C/C=N/[H]
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h2-5H,1H2/b4-2+,5-3+
InChIKeyKNWSOVPRNHJIML-ZUVMSYQZSA-N
MW70.09 g/mol
LogP0.68
Rot. Bonds2

About propane-1,3-diimine

propane-1,3-diimine (PubChem CID 18934492) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is propane-1,3-diimine.

Molecular Properties

Compound Namepropane-1,3-diimine
PubChem CID18934492
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Namepropane-1,3-diimine
SMILES[H]/N=C/C/C=N/[H]
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h2-5H,1H2/b4-2+,5-3+
InChIKeyKNWSOVPRNHJIML-ZUVMSYQZSA-N
XLogP0.68
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 propane-1,3-diimine?
The IUPAC name of propane-1,3-diimine (CID 18934492) is propane-1,3-diimine.
What is the SMILES notation for propane-1,3-diimine?
The canonical SMILES for propane-1,3-diimine is [H]/N=C/C/C=N/[H].
What is the InChIKey of propane-1,3-diimine?
The InChIKey is KNWSOVPRNHJIML-ZUVMSYQZSA-N. The full InChI is InChI=1S/C3H6N2/c4-2-1-3-5/h2-5H,1H2/b4-2+,5-3+.
What are the key properties of propane-1,3-diimine?
propane-1,3-diimine has a molecular weight of 70.09 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diimine is sourced from PubChem (CID 18934492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).