azetidine;methanimine

C6H16N4 — CID 158609644

IUPACazetidine;methanimine
SMILESC1CNC1.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/C3H7N.3CH3N/c1-2-4-3-1;3*1-2/h4H,1-3H2;3*2H,1H2
InChIKeyHWRBXRJMTOXXTJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.78
Rot. Bonds

About azetidine;methanimine

azetidine;methanimine (PubChem CID 158609644) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is azetidine;methanimine.

Molecular Properties

Compound Nameazetidine;methanimine
PubChem CID158609644
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Nameazetidine;methanimine
SMILESC1CNC1.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/C3H7N.3CH3N/c1-2-4-3-1;3*1-2/h4H,1-3H2;3*2H,1H2
InChIKeyHWRBXRJMTOXXTJ-UHFFFAOYSA-N
XLogP0.78
TPSA83.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 azetidine;methanimine?
The IUPAC name of azetidine;methanimine (CID 158609644) is azetidine;methanimine.
What is the SMILES notation for azetidine;methanimine?
The canonical SMILES for azetidine;methanimine is C1CNC1.[H]N=C.[H]N=C.[H]N=C.
What is the InChIKey of azetidine;methanimine?
The InChIKey is HWRBXRJMTOXXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.3CH3N/c1-2-4-3-1;3*1-2/h4H,1-3H2;3*2H,1H2.
What are the key properties of azetidine;methanimine?
azetidine;methanimine has a molecular weight of 144.22 g/mol, XLogP of 0.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;methanimine is sourced from PubChem (CID 158609644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).