N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine

C13H21NO — CID 177317183

IUPACN-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
SMILESCC1=CCC(NC2CC3(COC3)C2)CC1
InChIInChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13/h2,11-12,14H,3-9H2,1H3
InChIKeyJFYPCXFYMIWFAA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds2

About N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine

N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine (PubChem CID 177317183) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
PubChem CID177317183
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
SMILESCC1=CCC(NC2CC3(COC3)C2)CC1
InChIInChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13/h2,11-12,14H,3-9H2,1H3
InChIKeyJFYPCXFYMIWFAA-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-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 N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine (CID 177317183) is N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine is CC1=CCC(NC2CC3(COC3)C2)CC1.
What is the InChIKey of N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is JFYPCXFYMIWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13/h2,11-12,14H,3-9H2,1H3.
What are the key properties of N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 207.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 177317183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).