2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane

C17H29N — CID 166980896

IUPAC2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane
SMILESCCC1=CCC(N2CC3(CCC(C)CC3)C2)CC1
InChIInChI=1S/C17H29N/c1-3-15-4-6-16(7-5-15)18-12-17(13-18)10-8-14(2)9-11-17/h4,14,16H,3,5-13H2,1-2H3
InChIKeyQOEIRNQBKDOFSS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.39
Rot. Bonds2

About 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane

2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane (PubChem CID 166980896) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane
PubChem CID166980896
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane
SMILESCCC1=CCC(N2CC3(CCC(C)CC3)C2)CC1
InChIInChI=1S/C17H29N/c1-3-15-4-6-16(7-5-15)18-12-17(13-18)10-8-14(2)9-11-17/h4,14,16H,3,5-13H2,1-2H3
InChIKeyQOEIRNQBKDOFSS-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.39
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-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane (CID 166980896) is 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane is CCC1=CCC(N2CC3(CCC(C)CC3)C2)CC1.
What is the InChIKey of 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
The InChIKey is QOEIRNQBKDOFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-15-4-6-16(7-5-15)18-12-17(13-18)10-8-14(2)9-11-17/h4,14,16H,3,5-13H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane?
2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane has a molecular weight of 247.43 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohex-3-en-1-yl)-7-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166980896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).