7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde

C17H23NO — CID 169002481

IUPAC7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCc1ccc(CC2CCC3(CC2)CN(C=O)C3)cc1
InChIInChI=1S/C17H23NO/c1-14-2-4-15(5-3-14)10-16-6-8-17(9-7-16)11-18(12-17)13-19/h2-5,13,16H,6-12H2,1H3
InChIKeyZARQCPWEJIXBIS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds3

About 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde

7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 169002481) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde
PubChem CID169002481
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCc1ccc(CC2CCC3(CC2)CN(C=O)C3)cc1
InChIInChI=1S/C17H23NO/c1-14-2-4-15(5-3-14)10-16-6-8-17(9-7-16)11-18(12-17)13-19/h2-5,13,16H,6-12H2,1H3
InChIKeyZARQCPWEJIXBIS-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-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

Related Compounds

6-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.4]octane-2-carbaldehyde
CID 169002439
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
5-[(4-methylphenyl)methyl]cycloheptene
CID 142080732
4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
CID 175396655
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466
1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
CID 123342041
4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine
CID 122534337

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde (CID 169002481) is 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde is Cc1ccc(CC2CCC3(CC2)CN(C=O)C3)cc1.
What is the InChIKey of 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is ZARQCPWEJIXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-2-4-15(5-3-14)10-16-6-8-17(9-7-16)11-18(12-17)13-19/h2-5,13,16H,6-12H2,1H3.
What are the key properties of 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde?
7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 257.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylphenyl)methyl]-2-azaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 169002481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).