1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride

C16H28ClNO2 — CID 2850439

IUPAC1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride
SMILESCOCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO2.ClH/c1-11(17-3-4-19-2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H
InChIKeyFDAWPJHBPXAALC-UHFFFAOYSA-N
MW301.86 g/mol
LogP2.82
Rot. Bonds6

About 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride

1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride (PubChem CID 2850439) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride
PubChem CID2850439
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC Name1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride
SMILESCOCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO2.ClH/c1-11(17-3-4-19-2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H
InChIKeyFDAWPJHBPXAALC-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
1-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
1-Adamantan-1-yl-2-(2-dimethylamino-ethylamino)-propan-1-one
CID 16681791
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-((3r,5r,7r)-adamantane-1-carboxamido)propanoate
CID 2999267
methyl ((3S,5S,7S)-adamantane-1-carbonyl)-L-alaninate
CID 7090697
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one
CID 3110950
2-(Methylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836030
methyl N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]alaninate
CID 2936967
Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate
CID 2941183

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride (CID 2850439) is 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride is COCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride?
The InChIKey is FDAWPJHBPXAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.ClH/c1-11(17-3-4-19-2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride?
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 2.82, 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)propan-1-one;hydrochloride is sourced from PubChem (CID 2850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).