1-(1-adamantyl)-2-(propan-2-ylamino)ethanone

C15H25NO — CID 551582

IUPAC1-(1-adamantyl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(2)16-9-14(17)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3
InChIKeyQAWMGAIRTARNEZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.77
Rot. Bonds4

About 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone

1-(1-adamantyl)-2-(propan-2-ylamino)ethanone (PubChem CID 551582) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(propan-2-ylamino)ethanone
PubChem CID551582
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(1-adamantyl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(2)16-9-14(17)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3
InChIKeyQAWMGAIRTARNEZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-Adamantan-1-yl-2-(2-dimethylamino-ethylamino)-propan-1-one
CID 16681791
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
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-hydroxyethyl)amino)propan-1-one hydrochloride
CID 6603368
1-(1-Adamantanyl)-2-[2-(dimethylamino)ethylamino]-1-propanone
CID 3807199
N-butyladamantane-1-carboxamide
CID 585486
2-(Dimethylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2728846
Cambridge id 5219424
CID 2834604
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
Cambridge id 6575308
CID 2903179

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone (CID 551582) is 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone?
The InChIKey is QAWMGAIRTARNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)16-9-14(17)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone?
1-(1-adamantyl)-2-(propan-2-ylamino)ethanone has a molecular weight of 235.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 551582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).