3-propyl-2-azaspiro[4.5]dec-2-ene

C12H21N — CID 102196249

IUPAC3-propyl-2-azaspiro[4.5]dec-2-ene
SMILESCCCC1=NCC2(CCCCC2)C1
InChIInChI=1S/C12H21N/c1-2-6-11-9-12(10-13-11)7-4-3-5-8-12/h2-10H2,1H3
InChIKeyLISVVLUBTGARER-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.58
Rot. Bonds2

About 3-propyl-2-azaspiro[4.5]dec-2-ene

3-propyl-2-azaspiro[4.5]dec-2-ene (PubChem CID 102196249) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-propyl-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-propyl-2-azaspiro[4.5]dec-2-ene
PubChem CID102196249
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-propyl-2-azaspiro[4.5]dec-2-ene
SMILESCCCC1=NCC2(CCCCC2)C1
InChIInChI=1S/C12H21N/c1-2-6-11-9-12(10-13-11)7-4-3-5-8-12/h2-10H2,1H3
InChIKeyLISVVLUBTGARER-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-propyl-2-azaspiro[4.5]dec-2-ene (CID 102196249) is 3-propyl-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-propyl-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-propyl-2-azaspiro[4.5]dec-2-ene is CCCC1=NCC2(CCCCC2)C1.
What is the InChIKey of 3-propyl-2-azaspiro[4.5]dec-2-ene?
The InChIKey is LISVVLUBTGARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-6-11-9-12(10-13-11)7-4-3-5-8-12/h2-10H2,1H3.
What are the key properties of 3-propyl-2-azaspiro[4.5]dec-2-ene?
3-propyl-2-azaspiro[4.5]dec-2-ene has a molecular weight of 179.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 102196249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).