6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde

C16H21NO — CID 169002484

IUPAC6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESCC(C)c1ccc(C2CC3(C2)CN(C=O)C3)cc1
InChIInChI=1S/C16H21NO/c1-12(2)13-3-5-14(6-4-13)15-7-16(8-15)9-17(10-16)11-18/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyWANWLQRNOYQXRE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds3

About 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde

6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde (PubChem CID 169002484) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
PubChem CID169002484
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESCC(C)c1ccc(C2CC3(C2)CN(C=O)C3)cc1
InChIInChI=1S/C16H21NO/c1-12(2)13-3-5-14(6-4-13)15-7-16(8-15)9-17(10-16)11-18/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyWANWLQRNOYQXRE-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde 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 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The IUPAC name of 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde (CID 169002484) is 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The canonical SMILES for 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde is CC(C)c1ccc(C2CC3(C2)CN(C=O)C3)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The InChIKey is WANWLQRNOYQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)13-3-5-14(6-4-13)15-7-16(8-15)9-17(10-16)11-18/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde has a molecular weight of 243.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)-2-azaspiro[3.3]heptane-2-carbaldehyde is sourced from PubChem (CID 169002484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).