N,N-dimethylazetidin-3-amine;dihydrochloride

C5H14Cl2N2 — CID 22121220

IUPACN,N-dimethylazetidin-3-amine;dihydrochloride
SMILESCN(C)C1CNC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7(2)5-3-6-4-5;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyDHXXDTCOJUYKOQ-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.36
Rot. Bonds1

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

N,N-dimethylazetidin-3-amine;dihydrochloride (PubChem CID 22121220) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is N,N-dimethylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylazetidin-3-amine;dihydrochloride
PubChem CID22121220
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC NameN,N-dimethylazetidin-3-amine;dihydrochloride
SMILESCN(C)C1CNC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7(2)5-3-6-4-5;;/h5-6H,3-4H2,1-2H3;2*1H
InChIKeyDHXXDTCOJUYKOQ-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,N-dimethylazetidin-3-amine;dihydrochloride?
The IUPAC name of N,N-dimethylazetidin-3-amine;dihydrochloride (CID 22121220) is N,N-dimethylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethylazetidin-3-amine;dihydrochloride?
The canonical SMILES for N,N-dimethylazetidin-3-amine;dihydrochloride is CN(C)C1CNC1.Cl.Cl.
What is the InChIKey of N,N-dimethylazetidin-3-amine;dihydrochloride?
The InChIKey is DHXXDTCOJUYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-7(2)5-3-6-4-5;;/h5-6H,3-4H2,1-2H3;2*1H.
What are the key properties of N,N-dimethylazetidin-3-amine;dihydrochloride?
N,N-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,N-dimethylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 22121220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).