1-(1-adamantyl)-2-(dimethylamino)ethanone

C14H23NO — CID 3879753

IUPAC1-(1-adamantyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15(2)9-13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3
InChIKeyLMWQVPYQSXGYJU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.33
Rot. Bonds3

About 1-(1-adamantyl)-2-(dimethylamino)ethanone

1-(1-adamantyl)-2-(dimethylamino)ethanone (PubChem CID 3879753) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(dimethylamino)ethanone
PubChem CID3879753
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-adamantyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-15(2)9-13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3
InChIKeyLMWQVPYQSXGYJU-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
N,N-Dimethyl-1-adamantylcarboxamide
CID 137044
1-(1-Adamantyl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 6602730
2-(1-Adamantyl)-1-(1-piperidyl)ethan-2-one
CID 31942
N,N-diethyladamantane-1-carboxamide
CID 4237171
Ketone, 1-adamantyl piperidinomethyl, hydrochloride
CID 31941
[3-(1-Adamantyl)-3-oxopropyl](trimethyl)ammonium iodide
CID 2775568
1-Propanone, 1-(1-adamantyl)-3-dimethylamino-
CID 546927
2-(Dimethylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2728846
2-(Methylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836030
2-(Pyrrolidin-1-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836042
N,N-Dimethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 3913958

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)ethanone (CID 3879753) is 1-(1-adamantyl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-(dimethylamino)ethanone is CN(C)CC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(dimethylamino)ethanone?
The InChIKey is LMWQVPYQSXGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15(2)9-13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-(dimethylamino)ethanone?
1-(1-adamantyl)-2-(dimethylamino)ethanone has a molecular weight of 221.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 3879753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).