1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol

C23H27NO — CID 2836066

IUPAC1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol
SMILESCC(/N=C/c1c(O)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27NO/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-14-21-20-5-3-2-4-19(20)6-7-22(21)25/h2-7,14-18,25H,8-13H2,1H3/b24-14+
InChIKeyRNZUDPKMBBZDPS-ZVHZXABRSA-N
MW333.47 g/mol
LogP5.57
Rot. Bonds3

About 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol

1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol (PubChem CID 2836066) has the molecular formula C23H27NO and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol
PubChem CID2836066
Molecular FormulaC23H27NO
Molecular Weight333.47 g/mol
Exact Mass333.21
IUPAC Name1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol
SMILESCC(/N=C/c1c(O)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27NO/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-14-21-20-5-3-2-4-19(20)6-7-22(21)25/h2-7,14-18,25H,8-13H2,1H3/b24-14+
InChIKeyRNZUDPKMBBZDPS-ZVHZXABRSA-N
XLogP5.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol (CID 2836066) is 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol is CC(/N=C/c1c(O)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol?
The InChIKey is RNZUDPKMBBZDPS-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H27NO/c1-15(23-11-16-8-17(12-23)10-18(9-16)13-23)24-14-21-20-5-3-2-4-19(20)6-7-22(21)25/h2-7,14-18,25H,8-13H2,1H3/b24-14+.
What are the key properties of 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol?
1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol has a molecular weight of 333.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 2836066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).