3-(benzylamino)adamantan-1-ol

C17H23NO — CID 17216439

IUPAC3-(benzylamino)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccccc1)(C3)C2
InChIInChI=1S/C17H23NO/c19-17-9-14-6-15(10-17)8-16(7-14,12-17)18-11-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2
InChIKeyILOBSLACVDHHLE-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.86
Rot. Bonds3

About 3-(benzylamino)adamantan-1-ol

3-(benzylamino)adamantan-1-ol (PubChem CID 17216439) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(benzylamino)adamantan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)adamantan-1-ol
PubChem CID17216439
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(benzylamino)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1ccccc1)(C3)C2
InChIInChI=1S/C17H23NO/c19-17-9-14-6-15(10-17)8-16(7-14,12-17)18-11-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2
InChIKeyILOBSLACVDHHLE-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)adamantan-1-ol?
The IUPAC name of 3-(benzylamino)adamantan-1-ol (CID 17216439) is 3-(benzylamino)adamantan-1-ol.
What is the SMILES notation for 3-(benzylamino)adamantan-1-ol?
The canonical SMILES for 3-(benzylamino)adamantan-1-ol is OC12CC3CC(C1)CC(NCc1ccccc1)(C3)C2.
What is the InChIKey of 3-(benzylamino)adamantan-1-ol?
The InChIKey is ILOBSLACVDHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-9-14-6-15(10-17)8-16(7-14,12-17)18-11-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2.
What are the key properties of 3-(benzylamino)adamantan-1-ol?
3-(benzylamino)adamantan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)adamantan-1-ol is sourced from PubChem (CID 17216439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).