3,5,7-tris(methylamino)adamantan-1-ol

C13H25N3O — CID 22463526

IUPAC3,5,7-tris(methylamino)adamantan-1-ol
SMILESCNC12CC3(O)CC(NC)(C1)CC(NC)(C3)C2
InChIInChI=1S/C13H25N3O/c1-14-10-4-11(15-2)6-12(5-10,16-3)9-13(17,7-10)8-11/h14-17H,4-9H2,1-3H3
InChIKeyDPTKJGGFVALCGQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP-0.03
Rot. Bonds3

About 3,5,7-tris(methylamino)adamantan-1-ol

3,5,7-tris(methylamino)adamantan-1-ol (PubChem CID 22463526) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,5,7-tris(methylamino)adamantan-1-ol.

Molecular Properties

Compound Name3,5,7-tris(methylamino)adamantan-1-ol
PubChem CID22463526
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3,5,7-tris(methylamino)adamantan-1-ol
SMILESCNC12CC3(O)CC(NC)(C1)CC(NC)(C3)C2
InChIInChI=1S/C13H25N3O/c1-14-10-4-11(15-2)6-12(5-10,16-3)9-13(17,7-10)8-11/h14-17H,4-9H2,1-3H3
InChIKeyDPTKJGGFVALCGQ-UHFFFAOYSA-N
XLogP-0.03
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-tris(methylamino)adamantan-1-ol?
The IUPAC name of 3,5,7-tris(methylamino)adamantan-1-ol (CID 22463526) is 3,5,7-tris(methylamino)adamantan-1-ol.
What is the SMILES notation for 3,5,7-tris(methylamino)adamantan-1-ol?
The canonical SMILES for 3,5,7-tris(methylamino)adamantan-1-ol is CNC12CC3(O)CC(NC)(C1)CC(NC)(C3)C2.
What is the InChIKey of 3,5,7-tris(methylamino)adamantan-1-ol?
The InChIKey is DPTKJGGFVALCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-10-4-11(15-2)6-12(5-10,16-3)9-13(17,7-10)8-11/h14-17H,4-9H2,1-3H3.
What are the key properties of 3,5,7-tris(methylamino)adamantan-1-ol?
3,5,7-tris(methylamino)adamantan-1-ol has a molecular weight of 239.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-tris(methylamino)adamantan-1-ol is sourced from PubChem (CID 22463526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).