2-(dimethylamino)ethyl adamantane-1-carboxylate

C15H25NO2 — CID 2728850

IUPAC2-(dimethylamino)ethyl adamantane-1-carboxylate
SMILESCN(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-16(2)3-4-18-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3
InChIKeyCLHYUGKFOABVFI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.31
Rot. Bonds4

About 2-(dimethylamino)ethyl adamantane-1-carboxylate

2-(dimethylamino)ethyl adamantane-1-carboxylate (PubChem CID 2728850) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl adamantane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl adamantane-1-carboxylate
PubChem CID2728850
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(dimethylamino)ethyl adamantane-1-carboxylate
SMILESCN(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-16(2)3-4-18-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3
InChIKeyCLHYUGKFOABVFI-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl adamantane-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl adamantane-1-carboxylate (CID 2728850) is 2-(dimethylamino)ethyl adamantane-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl adamantane-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl adamantane-1-carboxylate is CN(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(dimethylamino)ethyl adamantane-1-carboxylate?
The InChIKey is CLHYUGKFOABVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16(2)3-4-18-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl adamantane-1-carboxylate?
2-(dimethylamino)ethyl adamantane-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl adamantane-1-carboxylate is sourced from PubChem (CID 2728850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).