2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene

C12H21N — CID 123790777

IUPAC2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene
SMILESCC1=C(C)CC2(CCN(C)CC2)C1
InChIInChI=1S/C12H21N/c1-10-8-12(9-11(10)2)4-6-13(3)7-5-12/h4-9H2,1-3H3
InChIKeyPETWIAQFIHZHAR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds

About 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene

2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene (PubChem CID 123790777) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene
PubChem CID123790777
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene
SMILESCC1=C(C)CC2(CCN(C)CC2)C1
InChIInChI=1S/C12H21N/c1-10-8-12(9-11(10)2)4-6-13(3)7-5-12/h4-9H2,1-3H3
InChIKeyPETWIAQFIHZHAR-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene (CID 123790777) is 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene is CC1=C(C)CC2(CCN(C)CC2)C1.
What is the InChIKey of 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene?
The InChIKey is PETWIAQFIHZHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-8-12(9-11(10)2)4-6-13(3)7-5-12/h4-9H2,1-3H3.
What are the key properties of 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene?
2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene has a molecular weight of 179.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 123790777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).