3-methyl-5-(methylamino)adamantan-1-ol

C12H21NO — CID 22463514

IUPAC3-methyl-5-(methylamino)adamantan-1-ol
SMILESCNC12CC3CC(C)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-10-3-9-4-11(6-10,13-2)8-12(14,5-9)7-10/h9,13-14H,3-8H2,1-2H3
InChIKeyIJYHESLVZMVLCZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.68
Rot. Bonds1

About 3-methyl-5-(methylamino)adamantan-1-ol

3-methyl-5-(methylamino)adamantan-1-ol (PubChem CID 22463514) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)adamantan-1-ol.

Molecular Properties

Compound Name3-methyl-5-(methylamino)adamantan-1-ol
PubChem CID22463514
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-methyl-5-(methylamino)adamantan-1-ol
SMILESCNC12CC3CC(C)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-10-3-9-4-11(6-10,13-2)8-12(14,5-9)7-10/h9,13-14H,3-8H2,1-2H3
InChIKeyIJYHESLVZMVLCZ-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)adamantan-1-ol?
The IUPAC name of 3-methyl-5-(methylamino)adamantan-1-ol (CID 22463514) is 3-methyl-5-(methylamino)adamantan-1-ol.
What is the SMILES notation for 3-methyl-5-(methylamino)adamantan-1-ol?
The canonical SMILES for 3-methyl-5-(methylamino)adamantan-1-ol is CNC12CC3CC(C)(CC(O)(C3)C1)C2.
What is the InChIKey of 3-methyl-5-(methylamino)adamantan-1-ol?
The InChIKey is IJYHESLVZMVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-3-9-4-11(6-10,13-2)8-12(14,5-9)7-10/h9,13-14H,3-8H2,1-2H3.
What are the key properties of 3-methyl-5-(methylamino)adamantan-1-ol?
3-methyl-5-(methylamino)adamantan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)adamantan-1-ol is sourced from PubChem (CID 22463514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).