3-methoxy-1-methyl-3-propylazetidine

C8H17NO — CID 76646857

IUPAC3-methoxy-1-methyl-3-propylazetidine
SMILESCCCC1(OC)CN(C)C1
InChIInChI=1S/C8H17NO/c1-4-5-8(10-3)6-9(2)7-8/h4-7H2,1-3H3
InChIKeyYVKQZJWJDFUHNO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds3

About 3-methoxy-1-methyl-3-propylazetidine

3-methoxy-1-methyl-3-propylazetidine (PubChem CID 76646857) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methoxy-1-methyl-3-propylazetidine.

Molecular Properties

Compound Name3-methoxy-1-methyl-3-propylazetidine
PubChem CID76646857
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methoxy-1-methyl-3-propylazetidine
SMILESCCCC1(OC)CN(C)C1
InChIInChI=1S/C8H17NO/c1-4-5-8(10-3)6-9(2)7-8/h4-7H2,1-3H3
InChIKeyYVKQZJWJDFUHNO-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-3-propylazetidine?
The IUPAC name of 3-methoxy-1-methyl-3-propylazetidine (CID 76646857) is 3-methoxy-1-methyl-3-propylazetidine.
What is the SMILES notation for 3-methoxy-1-methyl-3-propylazetidine?
The canonical SMILES for 3-methoxy-1-methyl-3-propylazetidine is CCCC1(OC)CN(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-3-propylazetidine?
The InChIKey is YVKQZJWJDFUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(10-3)6-9(2)7-8/h4-7H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-3-propylazetidine?
3-methoxy-1-methyl-3-propylazetidine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-3-propylazetidine is sourced from PubChem (CID 76646857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).