azetidin-3-ylmethyl(methanidyl)azanium

C5H12N2 — CID 59535243

IUPACazetidin-3-ylmethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC1CNC1
InChIInChI=1S/C5H12N2/c1-6-2-5-3-7-4-5/h5,7H,1-4,6H2
InChIKeyZKGYLEULXPEADO-UHFFFAOYSA-N
MW100.17 g/mol
LogP-1.44
Rot. Bonds2

About azetidin-3-ylmethyl(methanidyl)azanium

azetidin-3-ylmethyl(methanidyl)azanium (PubChem CID 59535243) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is azetidin-3-ylmethyl(methanidyl)azanium.

Molecular Properties

Compound Nameazetidin-3-ylmethyl(methanidyl)azanium
PubChem CID59535243
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Nameazetidin-3-ylmethyl(methanidyl)azanium
SMILES[CH2-][NH2+]CC1CNC1
InChIInChI=1S/C5H12N2/c1-6-2-5-3-7-4-5/h5,7H,1-4,6H2
InChIKeyZKGYLEULXPEADO-UHFFFAOYSA-N
XLogP-1.44
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl(methanidyl)azanium?
The IUPAC name of azetidin-3-ylmethyl(methanidyl)azanium (CID 59535243) is azetidin-3-ylmethyl(methanidyl)azanium.
What is the SMILES notation for azetidin-3-ylmethyl(methanidyl)azanium?
The canonical SMILES for azetidin-3-ylmethyl(methanidyl)azanium is [CH2-][NH2+]CC1CNC1.
What is the InChIKey of azetidin-3-ylmethyl(methanidyl)azanium?
The InChIKey is ZKGYLEULXPEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-6-2-5-3-7-4-5/h5,7H,1-4,6H2.
What are the key properties of azetidin-3-ylmethyl(methanidyl)azanium?
azetidin-3-ylmethyl(methanidyl)azanium has a molecular weight of 100.17 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethyl(methanidyl)azanium is sourced from PubChem (CID 59535243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).