2-(methylaminomethyl)adamantan-2-ol

C12H21NO — CID 62773704

IUPAC2-(methylaminomethyl)adamantan-2-ol
SMILESCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-13-7-12(14)10-3-8-2-9(5-10)6-11(12)4-8/h8-11,13-14H,2-7H2,1H3
InChIKeyDOLYCHLUIYOVAO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.39
Rot. Bonds2

About 2-(methylaminomethyl)adamantan-2-ol

2-(methylaminomethyl)adamantan-2-ol (PubChem CID 62773704) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(methylaminomethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(methylaminomethyl)adamantan-2-ol
PubChem CID62773704
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(methylaminomethyl)adamantan-2-ol
SMILESCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-13-7-12(14)10-3-8-2-9(5-10)6-11(12)4-8/h8-11,13-14H,2-7H2,1H3
InChIKeyDOLYCHLUIYOVAO-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)adamantan-2-ol?
The IUPAC name of 2-(methylaminomethyl)adamantan-2-ol (CID 62773704) is 2-(methylaminomethyl)adamantan-2-ol.
What is the SMILES notation for 2-(methylaminomethyl)adamantan-2-ol?
The canonical SMILES for 2-(methylaminomethyl)adamantan-2-ol is CNCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(methylaminomethyl)adamantan-2-ol?
The InChIKey is DOLYCHLUIYOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-7-12(14)10-3-8-2-9(5-10)6-11(12)4-8/h8-11,13-14H,2-7H2,1H3.
What are the key properties of 2-(methylaminomethyl)adamantan-2-ol?
2-(methylaminomethyl)adamantan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)adamantan-2-ol is sourced from PubChem (CID 62773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).