ethane;2-ethyl-2-(2-methoxyethyl)azetidine

C12H29NO — CID 168995491

IUPACethane;2-ethyl-2-(2-methoxyethyl)azetidine
SMILESCC.CC.CCC1(CCOC)CCN1
InChIInChI=1S/C8H17NO.2C2H6/c1-3-8(4-6-9-8)5-7-10-2;2*1-2/h9H,3-7H2,1-2H3;2*1-2H3
InChIKeyIEWJEDHYHKXRFF-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.22
Rot. Bonds4

About ethane;2-ethyl-2-(2-methoxyethyl)azetidine

ethane;2-ethyl-2-(2-methoxyethyl)azetidine (PubChem CID 168995491) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethane;2-ethyl-2-(2-methoxyethyl)azetidine.

Molecular Properties

Compound Nameethane;2-ethyl-2-(2-methoxyethyl)azetidine
PubChem CID168995491
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethane;2-ethyl-2-(2-methoxyethyl)azetidine
SMILESCC.CC.CCC1(CCOC)CCN1
InChIInChI=1S/C8H17NO.2C2H6/c1-3-8(4-6-9-8)5-7-10-2;2*1-2/h9H,3-7H2,1-2H3;2*1-2H3
InChIKeyIEWJEDHYHKXRFF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-(2-methoxyethyl)azetidine?
The IUPAC name of ethane;2-ethyl-2-(2-methoxyethyl)azetidine (CID 168995491) is ethane;2-ethyl-2-(2-methoxyethyl)azetidine.
What is the SMILES notation for ethane;2-ethyl-2-(2-methoxyethyl)azetidine?
The canonical SMILES for ethane;2-ethyl-2-(2-methoxyethyl)azetidine is CC.CC.CCC1(CCOC)CCN1.
What is the InChIKey of ethane;2-ethyl-2-(2-methoxyethyl)azetidine?
The InChIKey is IEWJEDHYHKXRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.2C2H6/c1-3-8(4-6-9-8)5-7-10-2;2*1-2/h9H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-2-(2-methoxyethyl)azetidine?
ethane;2-ethyl-2-(2-methoxyethyl)azetidine has a molecular weight of 203.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-(2-methoxyethyl)azetidine is sourced from PubChem (CID 168995491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).