ethane;3-ethyl-8-azaspiro[4.5]decane

C13H27N — CID 170578114

IUPACethane;3-ethyl-8-azaspiro[4.5]decane
SMILESCC.CCC1CCC2(CCNCC2)C1
InChIInChI=1S/C11H21N.C2H6/c1-2-10-3-4-11(9-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyMNDOUPQBGJGUBT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds1

About ethane;3-ethyl-8-azaspiro[4.5]decane

ethane;3-ethyl-8-azaspiro[4.5]decane (PubChem CID 170578114) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;3-ethyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;3-ethyl-8-azaspiro[4.5]decane
PubChem CID170578114
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;3-ethyl-8-azaspiro[4.5]decane
SMILESCC.CCC1CCC2(CCNCC2)C1
InChIInChI=1S/C11H21N.C2H6/c1-2-10-3-4-11(9-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyMNDOUPQBGJGUBT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propyl-8-azaspiro[4.5]decane
CID 177021329
ethane;8-ethyl-2-azaspiro[4.6]undecane
CID 168995957
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
CID 155331562
6-azaspiro[2.5]octane;ethane;propane
CID 176979994
7-azaspiro[3.5]nonan-2-ylmethanol
CID 66837624
8-ethylspiro[4.5]decan-3-ol
CID 155331554
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylethanamine
CID 58101761
2-(methoxymethyl)-7-azaspiro[3.5]nonane
CID 155894226

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-8-azaspiro[4.5]decane?
The IUPAC name of ethane;3-ethyl-8-azaspiro[4.5]decane (CID 170578114) is ethane;3-ethyl-8-azaspiro[4.5]decane.
What is the SMILES notation for ethane;3-ethyl-8-azaspiro[4.5]decane?
The canonical SMILES for ethane;3-ethyl-8-azaspiro[4.5]decane is CC.CCC1CCC2(CCNCC2)C1.
What is the InChIKey of ethane;3-ethyl-8-azaspiro[4.5]decane?
The InChIKey is MNDOUPQBGJGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-2-10-3-4-11(9-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-8-azaspiro[4.5]decane?
ethane;3-ethyl-8-azaspiro[4.5]decane has a molecular weight of 197.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 170578114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).