3-(5-methoxyhexan-2-yl)azetidine

C10H21NO — CID 166470175

IUPAC3-(5-methoxyhexan-2-yl)azetidine
SMILESCOC(C)CCC(C)C1CNC1
InChIInChI=1S/C10H21NO/c1-8(10-6-11-7-10)4-5-9(2)12-3/h8-11H,4-7H2,1-3H3
InChIKeyRBNONXSZDVYQGG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds5

About 3-(5-methoxyhexan-2-yl)azetidine

3-(5-methoxyhexan-2-yl)azetidine (PubChem CID 166470175) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(5-methoxyhexan-2-yl)azetidine.

Molecular Properties

Compound Name3-(5-methoxyhexan-2-yl)azetidine
PubChem CID166470175
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(5-methoxyhexan-2-yl)azetidine
SMILESCOC(C)CCC(C)C1CNC1
InChIInChI=1S/C10H21NO/c1-8(10-6-11-7-10)4-5-9(2)12-3/h8-11H,4-7H2,1-3H3
InChIKeyRBNONXSZDVYQGG-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyhexan-2-yl)azetidine?
The IUPAC name of 3-(5-methoxyhexan-2-yl)azetidine (CID 166470175) is 3-(5-methoxyhexan-2-yl)azetidine.
What is the SMILES notation for 3-(5-methoxyhexan-2-yl)azetidine?
The canonical SMILES for 3-(5-methoxyhexan-2-yl)azetidine is COC(C)CCC(C)C1CNC1.
What is the InChIKey of 3-(5-methoxyhexan-2-yl)azetidine?
The InChIKey is RBNONXSZDVYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(10-6-11-7-10)4-5-9(2)12-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-(5-methoxyhexan-2-yl)azetidine?
3-(5-methoxyhexan-2-yl)azetidine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyhexan-2-yl)azetidine is sourced from PubChem (CID 166470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).