1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

C12H21N — CID 177162755

IUPAC1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=CCC(C)C12CCN(C)CC2
InChIInChI=1S/C12H21N/c1-10-4-5-11(2)12(10)6-8-13(3)9-7-12/h4,11H,5-9H2,1-3H3
InChIKeyMGJDYIUJBSKCLE-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.68
Rot. Bonds

About 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene

1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (PubChem CID 177162755) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
PubChem CID177162755
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=CCC(C)C12CCN(C)CC2
InChIInChI=1S/C12H21N/c1-10-4-5-11(2)12(10)6-8-13(3)9-7-12/h4,11H,5-9H2,1-3H3
InChIKeyMGJDYIUJBSKCLE-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene (CID 177162755) is 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is CC1=CCC(C)C12CCN(C)CC2.
What is the InChIKey of 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
The InChIKey is MGJDYIUJBSKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-4-5-11(2)12(10)6-8-13(3)9-7-12/h4,11H,5-9H2,1-3H3.
What are the key properties of 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene?
1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene has a molecular weight of 179.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177162755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).