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

C14H24ClNO — CID 126476010

IUPAC1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H23NO.ClH/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;1H
InChIKeyUWLXZEGCOGUXBN-UHFFFAOYSA-N
MW257.80 g/mol
LogP2.76
Rot. Bonds3

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

1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride (PubChem CID 126476010) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride
PubChem CID126476010
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H23NO.ClH/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;1H
InChIKeyUWLXZEGCOGUXBN-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride (CID 126476010) is 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride is CN(C)CC(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride?
The InChIKey is UWLXZEGCOGUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/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;1H.
What are the key properties of 1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride?
1-(1-adamantyl)-2-(dimethylamino)ethanone;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 2.76, 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;hydrochloride is sourced from PubChem (CID 126476010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).