bis(1,3-dimethylazetidine);3-methyloxetane

C14H30N2O — CID 158498308

IUPACbis(1,3-dimethylazetidine);3-methyloxetane
SMILESCC1CN(C)C1.CC1CN(C)C1.CC1COC1
InChIInChI=1S/2C5H11N.C4H8O/c2*1-5-3-6(2)4-5;1-4-2-5-3-4/h2*5H,3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyHJOJELWCIJNDCQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.79
Rot. Bonds

About bis(1,3-dimethylazetidine);3-methyloxetane

bis(1,3-dimethylazetidine);3-methyloxetane (PubChem CID 158498308) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is bis(1,3-dimethylazetidine);3-methyloxetane.

Molecular Properties

Compound Namebis(1,3-dimethylazetidine);3-methyloxetane
PubChem CID158498308
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Namebis(1,3-dimethylazetidine);3-methyloxetane
SMILESCC1CN(C)C1.CC1CN(C)C1.CC1COC1
InChIInChI=1S/2C5H11N.C4H8O/c2*1-5-3-6(2)4-5;1-4-2-5-3-4/h2*5H,3-4H2,1-2H3;4H,2-3H2,1H3
InChIKeyHJOJELWCIJNDCQ-UHFFFAOYSA-N
XLogP1.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethylazetidine);3-methyloxetane?
The IUPAC name of bis(1,3-dimethylazetidine);3-methyloxetane (CID 158498308) is bis(1,3-dimethylazetidine);3-methyloxetane.
What is the SMILES notation for bis(1,3-dimethylazetidine);3-methyloxetane?
The canonical SMILES for bis(1,3-dimethylazetidine);3-methyloxetane is CC1CN(C)C1.CC1CN(C)C1.CC1COC1.
What is the InChIKey of bis(1,3-dimethylazetidine);3-methyloxetane?
The InChIKey is HJOJELWCIJNDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.C4H8O/c2*1-5-3-6(2)4-5;1-4-2-5-3-4/h2*5H,3-4H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of bis(1,3-dimethylazetidine);3-methyloxetane?
bis(1,3-dimethylazetidine);3-methyloxetane has a molecular weight of 242.41 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethylazetidine);3-methyloxetane is sourced from PubChem (CID 158498308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).