5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine

C16H27NO — CID 79923275

IUPAC5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(C2CCOC3(CCC3)C2)=CC(N)C1
InChIInChI=1S/C16H27NO/c1-15(2)9-13(8-14(17)11-15)12-4-7-18-16(10-12)5-3-6-16/h8,12,14H,3-7,9-11,17H2,1-2H3
InChIKeyVSWDUGQPKJTNIW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.41
Rot. Bonds1

About 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine (PubChem CID 79923275) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
PubChem CID79923275
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(C2CCOC3(CCC3)C2)=CC(N)C1
InChIInChI=1S/C16H27NO/c1-15(2)9-13(8-14(17)11-15)12-4-7-18-16(10-12)5-3-6-16/h8,12,14H,3-7,9-11,17H2,1-2H3
InChIKeyVSWDUGQPKJTNIW-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine (CID 79923275) is 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine is CC1(C)CC(C2CCOC3(CCC3)C2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The InChIKey is VSWDUGQPKJTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2)9-13(8-14(17)11-15)12-4-7-18-16(10-12)5-3-6-16/h8,12,14H,3-7,9-11,17H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 79923275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).