1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine

C23H33NO — CID 14913349

IUPAC1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H33NO/c1-24(2)15-20-14-23(25-16-20,21-6-4-3-5-7-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,17-20H,8-16H2,1-2H3
InChIKeyMBRLGFXCSOIXTH-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.70
Rot. Bonds4

About 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine

1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine (PubChem CID 14913349) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine
PubChem CID14913349
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H33NO/c1-24(2)15-20-14-23(25-16-20,21-6-4-3-5-7-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,17-20H,8-16H2,1-2H3
InChIKeyMBRLGFXCSOIXTH-UHFFFAOYSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine (CID 14913349) is 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine is CN(C)CC1COC(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine?
The InChIKey is MBRLGFXCSOIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-24(2)15-20-14-23(25-16-20,21-6-4-3-5-7-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,17-20H,8-16H2,1-2H3.
What are the key properties of 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine?
1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine has a molecular weight of 339.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-5-phenyloxolan-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 14913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).