ethyl 2-(methylamino)adamantane-2-carboxylate

C14H23NO2 — CID 62778952

IUPACethyl 2-(methylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO2/c1-3-17-13(16)14(15-2)11-5-9-4-10(7-11)8-12(14)6-9/h9-12,15H,3-8H2,1-2H3
InChIKeyIJRFETBJTQKACD-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.96
Rot. Bonds3

About ethyl 2-(methylamino)adamantane-2-carboxylate

ethyl 2-(methylamino)adamantane-2-carboxylate (PubChem CID 62778952) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2-(methylamino)adamantane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)adamantane-2-carboxylate
PubChem CID62778952
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2-(methylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO2/c1-3-17-13(16)14(15-2)11-5-9-4-10(7-11)8-12(14)6-9/h9-12,15H,3-8H2,1-2H3
InChIKeyIJRFETBJTQKACD-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)adamantane-2-carboxylate?
The IUPAC name of ethyl 2-(methylamino)adamantane-2-carboxylate (CID 62778952) is ethyl 2-(methylamino)adamantane-2-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)adamantane-2-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)adamantane-2-carboxylate is CCOC(=O)C1(NC)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 2-(methylamino)adamantane-2-carboxylate?
The InChIKey is IJRFETBJTQKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-13(16)14(15-2)11-5-9-4-10(7-11)8-12(14)6-9/h9-12,15H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)adamantane-2-carboxylate?
ethyl 2-(methylamino)adamantane-2-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)adamantane-2-carboxylate is sourced from PubChem (CID 62778952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).