7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane

C16H33N — CID 176986311

IUPAC7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane
SMILESCC.CCC1CC2(CCN(C(C)CC)CC2)C1
InChIInChI=1S/C14H27N.C2H6/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-14;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyYSEZMCCCNBUHJB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.71
Rot. Bonds3

About 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane

7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane (PubChem CID 176986311) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane
PubChem CID176986311
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane
SMILESCC.CCC1CC2(CCN(C(C)CC)CC2)C1
InChIInChI=1S/C14H27N.C2H6/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-14;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyYSEZMCCCNBUHJB-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane?
The IUPAC name of 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane (CID 176986311) is 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane.
What is the SMILES notation for 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane?
The canonical SMILES for 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane is CC.CCC1CC2(CCN(C(C)CC)CC2)C1.
What is the InChIKey of 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane?
The InChIKey is YSEZMCCCNBUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C2H6/c1-4-12(3)15-8-6-14(7-9-15)10-13(5-2)11-14;1-2/h12-13H,4-11H2,1-3H3;1-2H3.
What are the key properties of 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane?
7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane has a molecular weight of 239.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane is sourced from PubChem (CID 176986311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).