1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride

C15H26ClNO2 — CID 6603368

IUPAC1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride
SMILESCC(NCCO)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-10(16-2-3-17)14(18)15-7-11-4-12(8-15)6-13(5-11)9-15;/h10-13,16-17H,2-9H2,1H3;1H
InChIKeyXVCULCGIIXELFI-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.16
Rot. Bonds5

About 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride

1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride (PubChem CID 6603368) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride
PubChem CID6603368
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride
SMILESCC(NCCO)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-10(16-2-3-17)14(18)15-7-11-4-12(8-15)6-13(5-11)9-15;/h10-13,16-17H,2-9H2,1H3;1H
InChIKeyXVCULCGIIXELFI-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
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
1-(1-Adamantyl)-2-(isopropylamino)-1-propanone hydrochloride
CID 2870479
2-(Methylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2836030
N-(2-hydroxypropyl)adamantane-1-carboxamide
CID 2926775
2-[(2-Hydroxyethyl)amino]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 658762
2-[(2-Methoxyethyl)amino]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
CID 658896
2-[(2-Methoxyethyl)amino]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 660986
1-(1-Adamantyl)-2-(propan-2-ylamino)propan-1-one
CID 2870480
2-(1-adamantyl)-1-[N,N-bis(hydroxyethyl)-amino]ethan-2-one
CID 15514462
1-((3r,5r,7r)-Adamantan-1-yl)-2-(methylamino)propan-1-one hydrochloride
CID 2836029

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride (CID 6603368) is 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride is CC(NCCO)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride?
The InChIKey is XVCULCGIIXELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-10(16-2-3-17)14(18)15-7-11-4-12(8-15)6-13(5-11)9-15;/h10-13,16-17H,2-9H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride?
1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(2-hydroxyethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 6603368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).