2-ethyl-7-methylidene-2-azaspiro[3.6]decane

C12H21N — CID 155036704

IUPAC2-ethyl-7-methylidene-2-azaspiro[3.6]decane
SMILESC=C1CCCC2(CC1)CN(CC)C2
InChIInChI=1S/C12H21N/c1-3-13-9-12(10-13)7-4-5-11(2)6-8-12/h2-10H2,1H3
InChIKeyXOZBRMDBFJJPHN-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds1

About 2-ethyl-7-methylidene-2-azaspiro[3.6]decane

2-ethyl-7-methylidene-2-azaspiro[3.6]decane (PubChem CID 155036704) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-ethyl-7-methylidene-2-azaspiro[3.6]decane.

Molecular Properties

Compound Name2-ethyl-7-methylidene-2-azaspiro[3.6]decane
PubChem CID155036704
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-ethyl-7-methylidene-2-azaspiro[3.6]decane
SMILESC=C1CCCC2(CC1)CN(CC)C2
InChIInChI=1S/C12H21N/c1-3-13-9-12(10-13)7-4-5-11(2)6-8-12/h2-10H2,1H3
InChIKeyXOZBRMDBFJJPHN-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-ethyl-7-methylidene-2-azaspiro[3.6]decane?
The IUPAC name of 2-ethyl-7-methylidene-2-azaspiro[3.6]decane (CID 155036704) is 2-ethyl-7-methylidene-2-azaspiro[3.6]decane.
What is the SMILES notation for 2-ethyl-7-methylidene-2-azaspiro[3.6]decane?
The canonical SMILES for 2-ethyl-7-methylidene-2-azaspiro[3.6]decane is C=C1CCCC2(CC1)CN(CC)C2.
What is the InChIKey of 2-ethyl-7-methylidene-2-azaspiro[3.6]decane?
The InChIKey is XOZBRMDBFJJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-13-9-12(10-13)7-4-5-11(2)6-8-12/h2-10H2,1H3.
What are the key properties of 2-ethyl-7-methylidene-2-azaspiro[3.6]decane?
2-ethyl-7-methylidene-2-azaspiro[3.6]decane has a molecular weight of 179.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylidene-2-azaspiro[3.6]decane is sourced from PubChem (CID 155036704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).