azetidin-3-ylmethanamine;dihydrochloride

C4H12Cl2N2 — CID 22121283

IUPACazetidin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CNC1
InChIInChI=1S/C4H10N2.2ClH/c5-1-4-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKeyQQAHPBUCLORFBD-UHFFFAOYSA-N
MW159.06 g/mol
LogP0.01
Rot. Bonds1

About azetidin-3-ylmethanamine;dihydrochloride

azetidin-3-ylmethanamine;dihydrochloride (PubChem CID 22121283) has the molecular formula C4H12Cl2N2 and a molecular weight of 159.06 g/mol. Its IUPAC name is azetidin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Nameazetidin-3-ylmethanamine;dihydrochloride
PubChem CID22121283
Molecular FormulaC4H12Cl2N2
Molecular Weight159.06 g/mol
Exact Mass158.04
IUPAC Nameazetidin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CNC1
InChIInChI=1S/C4H10N2.2ClH/c5-1-4-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKeyQQAHPBUCLORFBD-UHFFFAOYSA-N
XLogP0.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethanamine;dihydrochloride?
The IUPAC name of azetidin-3-ylmethanamine;dihydrochloride (CID 22121283) is azetidin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for azetidin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for azetidin-3-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CNC1.
What is the InChIKey of azetidin-3-ylmethanamine;dihydrochloride?
The InChIKey is QQAHPBUCLORFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c5-1-4-2-6-3-4;;/h4,6H,1-3,5H2;2*1H.
What are the key properties of azetidin-3-ylmethanamine;dihydrochloride?
azetidin-3-ylmethanamine;dihydrochloride has a molecular weight of 159.06 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 22121283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).