ethane;3-methyl-1-(oxan-4-yl)azetidine

C11H23NO — CID 171530743

IUPACethane;3-methyl-1-(oxan-4-yl)azetidine
SMILESCC.CC1CN(C2CCOCC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-8-6-10(7-8)9-2-4-11-5-3-9;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyKRDDMEKCRQTQEZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds1

About ethane;3-methyl-1-(oxan-4-yl)azetidine

ethane;3-methyl-1-(oxan-4-yl)azetidine (PubChem CID 171530743) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;3-methyl-1-(oxan-4-yl)azetidine.

Molecular Properties

Compound Nameethane;3-methyl-1-(oxan-4-yl)azetidine
PubChem CID171530743
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;3-methyl-1-(oxan-4-yl)azetidine
SMILESCC.CC1CN(C2CCOCC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-8-6-10(7-8)9-2-4-11-5-3-9;1-2/h8-9H,2-7H2,1H3;1-2H3
InChIKeyKRDDMEKCRQTQEZ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(oxan-4-yl)azetidine?
The IUPAC name of ethane;3-methyl-1-(oxan-4-yl)azetidine (CID 171530743) is ethane;3-methyl-1-(oxan-4-yl)azetidine.
What is the SMILES notation for ethane;3-methyl-1-(oxan-4-yl)azetidine?
The canonical SMILES for ethane;3-methyl-1-(oxan-4-yl)azetidine is CC.CC1CN(C2CCOCC2)C1.
What is the InChIKey of ethane;3-methyl-1-(oxan-4-yl)azetidine?
The InChIKey is KRDDMEKCRQTQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8-6-10(7-8)9-2-4-11-5-3-9;1-2/h8-9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(oxan-4-yl)azetidine?
ethane;3-methyl-1-(oxan-4-yl)azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(oxan-4-yl)azetidine is sourced from PubChem (CID 171530743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).