1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride

C15H25ClNO2- — CID 53346817

IUPAC1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride
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/p-1
InChIKeyGEPPJBUDPXDCAQ-UHFFFAOYSA-M
MW286.82 g/mol
LogP-0.99
Rot. Bonds6

About 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride

1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride (PubChem CID 53346817) has the molecular formula C15H25ClNO2- and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride
PubChem CID53346817
Molecular FormulaC15H25ClNO2-
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride
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/p-1
InChIKeyGEPPJBUDPXDCAQ-UHFFFAOYSA-M
XLogP-0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 5-0.99
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

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)propan-1-one hydrochloride
CID 2850439
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)ethanone hydrochloride
CID 2941897
1-(1-Adamantyl)-2-(isopropylamino)-1-propanone hydrochloride
CID 2870479
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride
CID 6603368
Methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 3584687
2-[(2-Hydroxyethyl)amino]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 658762
1-(1-Adamantyl)-2-(2-methoxyethylamino)ethanone
CID 658896
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one
CID 660986
1-(1-Adamantyl)-2-(methylamino)ethanone
CID 84085373
1-admantyl N-acetylaminomethyl ketone
CID 129746501
1-((3r,5r,7r)-Adamantan-1-yl)-2-(methylamino)propan-1-one hydrochloride
CID 2836029

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride?
The IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride (CID 53346817) is 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride?
The canonical SMILES for 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride is COCCNCC(=O)C12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride?
The InChIKey is GEPPJBUDPXDCAQ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride?
1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone chloride has a molecular weight of 286.82 g/mol, XLogP of -0.99, 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 chloride is sourced from PubChem (CID 53346817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).