1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride

C5H13ClN2 — CID 53440211

IUPAC1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CNC1.Cl
InChIInChI=1S/C5H12N2.ClH/c1-6-2-5-3-7-4-5;/h5-7H,2-4H2,1H3;1H
InChIKeyGKEGGWVDAFVDBL-UHFFFAOYSA-N
MW136.63 g/mol
LogP-0.15
Rot. Bonds2

About 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride

1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 53440211) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID53440211
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CNC1.Cl
InChIInChI=1S/C5H12N2.ClH/c1-6-2-5-3-7-4-5;/h5-7H,2-4H2,1H3;1H
InChIKeyGKEGGWVDAFVDBL-UHFFFAOYSA-N
XLogP-0.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride (CID 53440211) is 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride is CNCC1CNC1.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is GKEGGWVDAFVDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.ClH/c1-6-2-5-3-7-4-5;/h5-7H,2-4H2,1H3;1H.
What are the key properties of 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride?
1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 136.63 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 53440211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).