ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine

C13H27NO — CID 165125105

IUPACethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
SMILESCC.CCNCCC1CCC2(CCC2)O1
InChIInChI=1S/C11H21NO.C2H6/c1-2-12-9-5-10-4-8-11(13-10)6-3-7-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyZUOSEJDZQNVJQW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds4

About ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine

ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine (PubChem CID 165125105) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
PubChem CID165125105
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine
SMILESCC.CCNCCC1CCC2(CCC2)O1
InChIInChI=1S/C11H21NO.C2H6/c1-2-12-9-5-10-4-8-11(13-10)6-3-7-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyZUOSEJDZQNVJQW-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The IUPAC name of ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine (CID 165125105) is ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The canonical SMILES for ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine is CC.CCNCCC1CCC2(CCC2)O1.
What is the InChIKey of ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
The InChIKey is ZUOSEJDZQNVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-2-12-9-5-10-4-8-11(13-10)6-3-7-11;1-2/h10,12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine?
ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(5-oxaspiro[3.4]octan-6-yl)ethanamine is sourced from PubChem (CID 165125105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).