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

C15H26ClNO — CID 2870216

IUPAC1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride
SMILESCCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO.ClH/c1-2-3-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H
InChIKeyLWXWKXMDTRXNOJ-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.19
Rot. Bonds5

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

1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride (PubChem CID 2870216) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride
PubChem CID2870216
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride
SMILESCCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H25NO.ClH/c1-2-3-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H
InChIKeyLWXWKXMDTRXNOJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride (CID 2870216) is 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride is CCCNCC(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride?
The InChIKey is LWXWKXMDTRXNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-2-3-16-10-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride?
1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(propylamino)ethanone;hydrochloride is sourced from PubChem (CID 2870216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).