[2-[3-(diethylamino)propyl]-2-adamantyl] acetate

C19H33NO2 — CID 10709892

IUPAC[2-[3-(diethylamino)propyl]-2-adamantyl] acetate
SMILESCCN(CC)CCCC1(OC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H33NO2/c1-4-20(5-2)8-6-7-19(22-14(3)21)17-10-15-9-16(12-17)13-18(19)11-15/h15-18H,4-13H2,1-3H3
InChIKeyLZICBTZJUOVISA-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.87
Rot. Bonds7

About [2-[3-(diethylamino)propyl]-2-adamantyl] acetate

[2-[3-(diethylamino)propyl]-2-adamantyl] acetate (PubChem CID 10709892) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is [2-[3-(diethylamino)propyl]-2-adamantyl] acetate.

Molecular Properties

Compound Name[2-[3-(diethylamino)propyl]-2-adamantyl] acetate
PubChem CID10709892
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name[2-[3-(diethylamino)propyl]-2-adamantyl] acetate
SMILESCCN(CC)CCCC1(OC(C)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H33NO2/c1-4-20(5-2)8-6-7-19(22-14(3)21)17-10-15-9-16(12-17)13-18(19)11-15/h15-18H,4-13H2,1-3H3
InChIKeyLZICBTZJUOVISA-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-2-adamantyl) 4-isocyanobutanoate
CID 20625873
(2-Methyl-2-adamantyl) 2-piperidin-1-ylacetate
CID 68196446
(2-Ethyl-2-adamantyl) 2-piperidin-1-ylacetate
CID 68196447
(2-Methyl-2-adamantyl) 2-pyrrolidin-1-ylacetate
CID 68196451
(2-Ethyl-2-adamantyl) 2-pyrrolidin-1-ylacetate
CID 68196453
(2-Propan-2-yl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959040
(2-Methyl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959047
[2-(1-Methylpiperidin-4-yl)-2-adamantyl] 2-iodopropanoate
CID 162508657
[2-(1-Methylpiperidin-4-yl)-2-adamantyl] 2,2-dibromoacetate
CID 162509450
Decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethylazanium bromide
CID 10096925
Decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethylazanium
CID 10096926
3-(2-Formyloxy-2-adamantyl)propyl-dimethyl-propylazanium bromide
CID 10340216

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)propyl]-2-adamantyl] acetate?
The IUPAC name of [2-[3-(diethylamino)propyl]-2-adamantyl] acetate (CID 10709892) is [2-[3-(diethylamino)propyl]-2-adamantyl] acetate.
What is the SMILES notation for [2-[3-(diethylamino)propyl]-2-adamantyl] acetate?
The canonical SMILES for [2-[3-(diethylamino)propyl]-2-adamantyl] acetate is CCN(CC)CCCC1(OC(C)=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-[3-(diethylamino)propyl]-2-adamantyl] acetate?
The InChIKey is LZICBTZJUOVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-20(5-2)8-6-7-19(22-14(3)21)17-10-15-9-16(12-17)13-18(19)11-15/h15-18H,4-13H2,1-3H3.
What are the key properties of [2-[3-(diethylamino)propyl]-2-adamantyl] acetate?
[2-[3-(diethylamino)propyl]-2-adamantyl] acetate has a molecular weight of 307.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)propyl]-2-adamantyl] acetate is sourced from PubChem (CID 10709892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).