2-(ethylaminomethyl)adamantan-2-ol

C13H23NO — CID 62773713

IUPAC2-(ethylaminomethyl)adamantan-2-ol
SMILESCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO/c1-2-14-8-13(15)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-15H,2-8H2,1H3
InChIKeyPVTNHPRSXJXTII-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.78
Rot. Bonds3

About 2-(ethylaminomethyl)adamantan-2-ol

2-(ethylaminomethyl)adamantan-2-ol (PubChem CID 62773713) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(ethylaminomethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(ethylaminomethyl)adamantan-2-ol
PubChem CID62773713
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(ethylaminomethyl)adamantan-2-ol
SMILESCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO/c1-2-14-8-13(15)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-15H,2-8H2,1H3
InChIKeyPVTNHPRSXJXTII-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)adamantan-2-ol?
The IUPAC name of 2-(ethylaminomethyl)adamantan-2-ol (CID 62773713) is 2-(ethylaminomethyl)adamantan-2-ol.
What is the SMILES notation for 2-(ethylaminomethyl)adamantan-2-ol?
The canonical SMILES for 2-(ethylaminomethyl)adamantan-2-ol is CCNCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(ethylaminomethyl)adamantan-2-ol?
The InChIKey is PVTNHPRSXJXTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-8-13(15)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14-15H,2-8H2,1H3.
What are the key properties of 2-(ethylaminomethyl)adamantan-2-ol?
2-(ethylaminomethyl)adamantan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)adamantan-2-ol is sourced from PubChem (CID 62773713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).