1-(1-adamantyl)-3-(dimethylamino)propan-1-one

C15H25NO — CID 546927

IUPAC1-(1-adamantyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-16(2)4-3-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3
InChIKeyICSQVOCOKJTKNF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds4

About 1-(1-adamantyl)-3-(dimethylamino)propan-1-one

1-(1-adamantyl)-3-(dimethylamino)propan-1-one (PubChem CID 546927) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(dimethylamino)propan-1-one
PubChem CID546927
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(1-adamantyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-16(2)4-3-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3
InChIKeyICSQVOCOKJTKNF-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(1-adamantyl)-3-(dimethylamino)propan-1-one (CID 546927) is 1-(1-adamantyl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(1-adamantyl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(dimethylamino)propan-1-one?
The InChIKey is ICSQVOCOKJTKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-16(2)4-3-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-3-(dimethylamino)propan-1-one?
1-(1-adamantyl)-3-(dimethylamino)propan-1-one has a molecular weight of 235.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 546927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).