3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine

C12H25NO — CID 140959057

IUPAC3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
SMILESCCC1(COC(C)C)CN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-6-12(9-14-11(4)5)7-13(8-12)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyOVVOBRDRALVISG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine

3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine (PubChem CID 140959057) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
PubChem CID140959057
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
SMILESCCC1(COC(C)C)CN(C(C)C)C1
InChIInChI=1S/C12H25NO/c1-6-12(9-14-11(4)5)7-13(8-12)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyOVVOBRDRALVISG-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The IUPAC name of 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine (CID 140959057) is 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The canonical SMILES for 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine is CCC1(COC(C)C)CN(C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The InChIKey is OVVOBRDRALVISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-12(9-14-11(4)5)7-13(8-12)10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine is sourced from PubChem (CID 140959057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).