(2-amino-5,7-dimethyl-1-adamantyl) acetate

C14H23NO2 — CID 139966238

IUPAC(2-amino-5,7-dimethyl-1-adamantyl) acetate
SMILESCC(=O)OC12CC3(C)CC(CC(C)(C3)C1)C2N
InChIInChI=1S/C14H23NO2/c1-9(16)17-14-7-12(2)4-10(11(14)15)5-13(3,6-12)8-14/h10-11H,4-8,15H2,1-3H3
InChIKeyZYOULQXCWAEHMR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.24
Rot. Bonds1

About (2-amino-5,7-dimethyl-1-adamantyl) acetate

(2-amino-5,7-dimethyl-1-adamantyl) acetate (PubChem CID 139966238) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2-amino-5,7-dimethyl-1-adamantyl) acetate.

Molecular Properties

Compound Name(2-amino-5,7-dimethyl-1-adamantyl) acetate
PubChem CID139966238
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2-amino-5,7-dimethyl-1-adamantyl) acetate
SMILESCC(=O)OC12CC3(C)CC(CC(C)(C3)C1)C2N
InChIInChI=1S/C14H23NO2/c1-9(16)17-14-7-12(2)4-10(11(14)15)5-13(3,6-12)8-14/h10-11H,4-8,15H2,1-3H3
InChIKeyZYOULQXCWAEHMR-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-diacetyloxy-1-adamantyl) acetate
CID 14789836
(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate
CID 147768354
(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate
CID 150340384
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
3,5-dimethyladamantan-1-amine carbonate
CID 56847323
(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate
CID 142758421
N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 174753683
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
CID 4606569
methyl 3-[(3,5-dimethyl-1-adamantyl)amino]-2-methylbutanoate
CID 103740781
(1-iodo-3-methyl-3-propylcyclobutyl) acetate
CID 177329937
[2-[(3,5-dimethyladamantane-1-carbonyl)oxymethyl]-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 3,5-dimethyladamantane-1-carboxylate
CID 18757357

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,7-dimethyl-1-adamantyl) acetate?
The IUPAC name of (2-amino-5,7-dimethyl-1-adamantyl) acetate (CID 139966238) is (2-amino-5,7-dimethyl-1-adamantyl) acetate.
What is the SMILES notation for (2-amino-5,7-dimethyl-1-adamantyl) acetate?
The canonical SMILES for (2-amino-5,7-dimethyl-1-adamantyl) acetate is CC(=O)OC12CC3(C)CC(CC(C)(C3)C1)C2N.
What is the InChIKey of (2-amino-5,7-dimethyl-1-adamantyl) acetate?
The InChIKey is ZYOULQXCWAEHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(16)17-14-7-12(2)4-10(11(14)15)5-13(3,6-12)8-14/h10-11H,4-8,15H2,1-3H3.
What are the key properties of (2-amino-5,7-dimethyl-1-adamantyl) acetate?
(2-amino-5,7-dimethyl-1-adamantyl) acetate has a molecular weight of 237.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,7-dimethyl-1-adamantyl) acetate is sourced from PubChem (CID 139966238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).