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

C16H27NO2 — CID 660986

IUPAC1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one
SMILESCOCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/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
InChIKeyFKUAGIUPGVQBCX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.40
Rot. Bonds6

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

1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one (PubChem CID 660986) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one
PubChem CID660986
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one
SMILESCOCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/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
InChIKeyFKUAGIUPGVQBCX-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.40
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-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
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
N-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-L-leucine methyl ester
CID 10990457
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
1-(1-Adamantanyl)-2-[2-(dimethylamino)ethylamino]-1-propanone
CID 3807199
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one?
The IUPAC name of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one (CID 660986) is 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one is COCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one?
The InChIKey is FKUAGIUPGVQBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/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.
What are the key properties of 1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one?
1-(1-adamantyl)-2-(2-methoxyethylamino)propan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.40, 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 is sourced from PubChem (CID 660986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).