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

C12H27NO — CID 166470203

IUPACethane;3-(5-methoxyhexan-2-yl)azetidine
SMILESCC.COC(C)CCC(C)C1CNC1
InChIInChI=1S/C10H21NO.C2H6/c1-8(10-6-11-7-10)4-5-9(2)12-3;1-2/h8-11H,4-7H2,1-3H3;1-2H3
InChIKeyUREAIIJAOWKOEU-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds5

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

ethane;3-(5-methoxyhexan-2-yl)azetidine (PubChem CID 166470203) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;3-(5-methoxyhexan-2-yl)azetidine.

Molecular Properties

Compound Nameethane;3-(5-methoxyhexan-2-yl)azetidine
PubChem CID166470203
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;3-(5-methoxyhexan-2-yl)azetidine
SMILESCC.COC(C)CCC(C)C1CNC1
InChIInChI=1S/C10H21NO.C2H6/c1-8(10-6-11-7-10)4-5-9(2)12-3;1-2/h8-11H,4-7H2,1-3H3;1-2H3
InChIKeyUREAIIJAOWKOEU-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methoxyhexan-2-yl)azetidine?
The IUPAC name of ethane;3-(5-methoxyhexan-2-yl)azetidine (CID 166470203) is ethane;3-(5-methoxyhexan-2-yl)azetidine.
What is the SMILES notation for ethane;3-(5-methoxyhexan-2-yl)azetidine?
The canonical SMILES for ethane;3-(5-methoxyhexan-2-yl)azetidine is CC.COC(C)CCC(C)C1CNC1.
What is the InChIKey of ethane;3-(5-methoxyhexan-2-yl)azetidine?
The InChIKey is UREAIIJAOWKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-8(10-6-11-7-10)4-5-9(2)12-3;1-2/h8-11H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(5-methoxyhexan-2-yl)azetidine?
ethane;3-(5-methoxyhexan-2-yl)azetidine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methoxyhexan-2-yl)azetidine is sourced from PubChem (CID 166470203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).