2-[(1-adamantylamino)methyl]-1H-inden-5-ol

C20H25NO — CID 118215632

IUPAC2-[(1-adamantylamino)methyl]-1H-inden-5-ol
SMILESOc1ccc2c(c1)C=C(CNC13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H25NO/c22-19-2-1-17-6-16(7-18(17)8-19)12-21-20-9-13-3-14(10-20)5-15(4-13)11-20/h1-2,7-8,13-15,21-22H,3-6,9-12H2
InChIKeyVYCSUPSBSSSINF-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.89
Rot. Bonds3

About 2-[(1-adamantylamino)methyl]-1H-inden-5-ol

2-[(1-adamantylamino)methyl]-1H-inden-5-ol (PubChem CID 118215632) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[(1-adamantylamino)methyl]-1H-inden-5-ol.

Molecular Properties

Compound Name2-[(1-adamantylamino)methyl]-1H-inden-5-ol
PubChem CID118215632
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[(1-adamantylamino)methyl]-1H-inden-5-ol
SMILESOc1ccc2c(c1)C=C(CNC13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C20H25NO/c22-19-2-1-17-6-16(7-18(17)8-19)12-21-20-9-13-3-14(10-20)5-15(4-13)11-20/h1-2,7-8,13-15,21-22H,3-6,9-12H2
InChIKeyVYCSUPSBSSSINF-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-adamantylamino)methyl]-1H-inden-5-ol?
The IUPAC name of 2-[(1-adamantylamino)methyl]-1H-inden-5-ol (CID 118215632) is 2-[(1-adamantylamino)methyl]-1H-inden-5-ol.
What is the SMILES notation for 2-[(1-adamantylamino)methyl]-1H-inden-5-ol?
The canonical SMILES for 2-[(1-adamantylamino)methyl]-1H-inden-5-ol is Oc1ccc2c(c1)C=C(CNC13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 2-[(1-adamantylamino)methyl]-1H-inden-5-ol?
The InChIKey is VYCSUPSBSSSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-19-2-1-17-6-16(7-18(17)8-19)12-21-20-9-13-3-14(10-20)5-15(4-13)11-20/h1-2,7-8,13-15,21-22H,3-6,9-12H2.
What are the key properties of 2-[(1-adamantylamino)methyl]-1H-inden-5-ol?
2-[(1-adamantylamino)methyl]-1H-inden-5-ol has a molecular weight of 295.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-adamantylamino)methyl]-1H-inden-5-ol is sourced from PubChem (CID 118215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).