N,1-dimethylazetidin-3-amine;dihydrochloride

C5H14Cl2N2 — CID 23153570

IUPACN,1-dimethylazetidin-3-amine;dihydrochloride
SMILESCNC1CN(C)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-6-5-3-7(2)4-5;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyDOAXLLLWRLRUTD-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.36
Rot. Bonds1

About N,1-dimethylazetidin-3-amine;dihydrochloride

N,1-dimethylazetidin-3-amine;dihydrochloride (PubChem CID 23153570) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is N,1-dimethylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN,1-dimethylazetidin-3-amine;dihydrochloride
PubChem CID23153570
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC NameN,1-dimethylazetidin-3-amine;dihydrochloride
SMILESCNC1CN(C)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-6-5-3-7(2)4-5;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyDOAXLLLWRLRUTD-UHFFFAOYSA-N
XLogP0.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylazetidin-3-amine;dihydrochloride?
The IUPAC name of N,1-dimethylazetidin-3-amine;dihydrochloride (CID 23153570) is N,1-dimethylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for N,1-dimethylazetidin-3-amine;dihydrochloride?
The canonical SMILES for N,1-dimethylazetidin-3-amine;dihydrochloride is CNC1CN(C)C1.Cl.Cl.
What is the InChIKey of N,1-dimethylazetidin-3-amine;dihydrochloride?
The InChIKey is DOAXLLLWRLRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-6-5-3-7(2)4-5;;/h5-6H,3-4H2,1-2H3;2*1H.
What are the key properties of N,1-dimethylazetidin-3-amine;dihydrochloride?
N,1-dimethylazetidin-3-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 23153570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).