ethane;8-ethyl-2-azaspiro[4.6]undecane

C16H35N — CID 168995957

IUPACethane;8-ethyl-2-azaspiro[4.6]undecane
SMILESCC.CC.CCC1CCCC2(CCNC2)CC1
InChIInChI=1S/C12H23N.2C2H6/c1-2-11-4-3-6-12(7-5-11)8-9-13-10-12;2*1-2/h11,13H,2-10H2,1H3;2*1-2H3
InChIKeyBTINSEOHSPKGCU-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds1

About ethane;8-ethyl-2-azaspiro[4.6]undecane

ethane;8-ethyl-2-azaspiro[4.6]undecane (PubChem CID 168995957) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;8-ethyl-2-azaspiro[4.6]undecane.

Molecular Properties

Compound Nameethane;8-ethyl-2-azaspiro[4.6]undecane
PubChem CID168995957
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;8-ethyl-2-azaspiro[4.6]undecane
SMILESCC.CC.CCC1CCCC2(CCNC2)CC1
InChIInChI=1S/C12H23N.2C2H6/c1-2-11-4-3-6-12(7-5-11)8-9-13-10-12;2*1-2/h11,13H,2-10H2,1H3;2*1-2H3
InChIKeyBTINSEOHSPKGCU-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
2-azaspiro[4.5]decan-8-ylmethanamine
CID 71649170
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122613
11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
CID 65213736
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
2-azaspiro[4.5]decane;ethene
CID 171834081
2,7-diazaspiro[3.4]octane;propane
CID 177136819
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
2,7-diazaspiro[3.4]octane;ethane
CID 143687523

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-2-azaspiro[4.6]undecane?
The IUPAC name of ethane;8-ethyl-2-azaspiro[4.6]undecane (CID 168995957) is ethane;8-ethyl-2-azaspiro[4.6]undecane.
What is the SMILES notation for ethane;8-ethyl-2-azaspiro[4.6]undecane?
The canonical SMILES for ethane;8-ethyl-2-azaspiro[4.6]undecane is CC.CC.CCC1CCCC2(CCNC2)CC1.
What is the InChIKey of ethane;8-ethyl-2-azaspiro[4.6]undecane?
The InChIKey is BTINSEOHSPKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.2C2H6/c1-2-11-4-3-6-12(7-5-11)8-9-13-10-12;2*1-2/h11,13H,2-10H2,1H3;2*1-2H3.
What are the key properties of ethane;8-ethyl-2-azaspiro[4.6]undecane?
ethane;8-ethyl-2-azaspiro[4.6]undecane has a molecular weight of 241.46 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-2-azaspiro[4.6]undecane is sourced from PubChem (CID 168995957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).