N-methylazetidin-3-amine;hydrochloride

C4H11ClN2 — CID 53313443

IUPACN-methylazetidin-3-amine;hydrochloride
SMILESCNC1CNC1.Cl
InChIInChI=1S/C4H10N2.ClH/c1-5-4-2-6-3-4;/h4-6H,2-3H2,1H3;1H
InChIKeyIUVWNLGZKLFAGU-UHFFFAOYSA-N
MW122.60 g/mol
LogP-0.40
Rot. Bonds1

About N-methylazetidin-3-amine;hydrochloride

N-methylazetidin-3-amine;hydrochloride (PubChem CID 53313443) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is N-methylazetidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methylazetidin-3-amine;hydrochloride
PubChem CID53313443
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC NameN-methylazetidin-3-amine;hydrochloride
SMILESCNC1CNC1.Cl
InChIInChI=1S/C4H10N2.ClH/c1-5-4-2-6-3-4;/h4-6H,2-3H2,1H3;1H
InChIKeyIUVWNLGZKLFAGU-UHFFFAOYSA-N
XLogP-0.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylazetidin-3-amine;hydrochloride?
The IUPAC name of N-methylazetidin-3-amine;hydrochloride (CID 53313443) is N-methylazetidin-3-amine;hydrochloride.
What is the SMILES notation for N-methylazetidin-3-amine;hydrochloride?
The canonical SMILES for N-methylazetidin-3-amine;hydrochloride is CNC1CNC1.Cl.
What is the InChIKey of N-methylazetidin-3-amine;hydrochloride?
The InChIKey is IUVWNLGZKLFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.ClH/c1-5-4-2-6-3-4;/h4-6H,2-3H2,1H3;1H.
What are the key properties of N-methylazetidin-3-amine;hydrochloride?
N-methylazetidin-3-amine;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazetidin-3-amine;hydrochloride is sourced from PubChem (CID 53313443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).