1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride

C15H26ClNO2 — CID 2941897

IUPAC1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-18-3-2-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H
InChIKeyGEPPJBUDPXDCAQ-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.43
Rot. Bonds6

About 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride

1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 2941897) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID2941897
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-18-3-2-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H
InChIKeyGEPPJBUDPXDCAQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119675316
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one chloride
CID 21235387
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
1-(1-adamantyl)-2-bromoethanone;ethane
CID 91508009
1-(1-adamantyl)-2-(1-adamantylamino)ethanone
CID 3292373
1-(1-adamantyl)-2-chloroethanone
CID 12824145
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
oxetan-3-yl 2-(2-methoxyethylamino)acetate
CID 102606673
2-(2-methoxyethylamino)-1-(oxan-3-yl)ethanone
CID 107138436
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 2941897) is 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride is COCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is GEPPJBUDPXDCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-18-3-2-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 2941897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).