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

C15H25NO — CID 2728846

IUPAC1-(1-adamantyl)-2-(dimethylamino)propan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N(C)C
InChIInChI=1S/C15H25NO/c1-10(16(2)3)14(17)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,4-9H2,1-3H3
InChIKeyKFFQBBVAEUSXKI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds3

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

1-(1-adamantyl)-2-(dimethylamino)propan-1-one (PubChem CID 2728846) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(dimethylamino)propan-1-one
PubChem CID2728846
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(1-adamantyl)-2-(dimethylamino)propan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N(C)C
InChIInChI=1S/C15H25NO/c1-10(16(2)3)14(17)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,4-9H2,1-3H3
InChIKeyKFFQBBVAEUSXKI-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
1-(1-Adamantyl)-2-(isopropylamino)-1-propanone hydrochloride
CID 2870479
2-(1-Adamantyl)-1-(1-piperidyl)ethan-2-one
CID 31942
1-(1-Adamantanyl)-2-[2-(dimethylamino)ethylamino]-1-propanone
CID 3807199
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-(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
1-(Adamantan-1-YL)-2-(dimethylamino)ethan-1-one
CID 3879753
2-(4-Methylpiperazin-1-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
CID 658519
1-(1-Adamantyl)-2-(propan-2-ylamino)propan-1-one
CID 2870480

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)propan-1-one?
The IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)propan-1-one (CID 2728846) is 1-(1-adamantyl)-2-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-(dimethylamino)propan-1-one is CC(C(=O)C12CC3CC(CC(C3)C1)C2)N(C)C.
What is the InChIKey of 1-(1-adamantyl)-2-(dimethylamino)propan-1-one?
The InChIKey is KFFQBBVAEUSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(16(2)3)14(17)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-2-(dimethylamino)propan-1-one?
1-(1-adamantyl)-2-(dimethylamino)propan-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.72, 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)propan-1-one is sourced from PubChem (CID 2728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).