1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol

C32H36N2O — CID 134507355

IUPAC1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol
SMILESCc1ccc2ccccc2c1CN1CCCC2(CCCN(Cc3c(O)ccc4ccccc34)C2)C1
InChIInChI=1S/C32H36N2O/c1-24-12-13-25-8-2-4-10-27(25)29(24)20-33-18-6-16-32(22-33)17-7-19-34(23-32)21-30-28-11-5-3-9-26(28)14-15-31(30)35/h2-5,8-15,35H,6-7,16-23H2,1H3
InChIKeyANJDTNCUVBRFBY-UHFFFAOYSA-N
MW464.65 g/mol
LogP6.89
Rot. Bonds4

About 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol

1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol (PubChem CID 134507355) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol
PubChem CID134507355
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol
SMILESCc1ccc2ccccc2c1CN1CCCC2(CCCN(Cc3c(O)ccc4ccccc34)C2)C1
InChIInChI=1S/C32H36N2O/c1-24-12-13-25-8-2-4-10-27(25)29(24)20-33-18-6-16-32(22-33)17-7-19-34(23-32)21-30-28-11-5-3-9-26(28)14-15-31(30)35/h2-5,8-15,35H,6-7,16-23H2,1H3
InChIKeyANJDTNCUVBRFBY-UHFFFAOYSA-N
XLogP6.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol (CID 134507355) is 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol is Cc1ccc2ccccc2c1CN1CCCC2(CCCN(Cc3c(O)ccc4ccccc34)C2)C1.
What is the InChIKey of 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol?
The InChIKey is ANJDTNCUVBRFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O/c1-24-12-13-25-8-2-4-10-27(25)29(24)20-33-18-6-16-32(22-33)17-7-19-34(23-32)21-30-28-11-5-3-9-26(28)14-15-31(30)35/h2-5,8-15,35H,6-7,16-23H2,1H3.
What are the key properties of 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol?
1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol has a molecular weight of 464.65 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 134507355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).