1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride

C17H31ClN2O — CID 16681791

IUPAC1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride
SMILESCC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-12(18-4-5-19(2)3)16(20)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15,18H,4-11H2,1-3H3;1H
InChIKeyVIFPSPFXFZDZEH-UHFFFAOYSA-N
MW314.90 g/mol
LogP2.73
Rot. Bonds6

About 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride

1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride (PubChem CID 16681791) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride
PubChem CID16681791
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride
SMILESCC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-12(18-4-5-19(2)3)16(20)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15,18H,4-11H2,1-3H3;1H
InChIKeyVIFPSPFXFZDZEH-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride with MolForge

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
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
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
1-(1-Adamantyl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 6602730
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
2-(1-adamantyl)-N-[(2S)-1-[(6S)-6-methyl-2,3-dioxopiperazin-1-yl]propan-2-yl]acetamide
CID 24856211
1-(1-Adamantyl)-2-(isopropylamino)-1-propanone hydrochloride
CID 2870479
1-(1-Adamantanyl)-2-[2-(dimethylamino)ethylamino]-1-propanone
CID 3807199
(3r,5r,7r)-N-(1-((2-(dimethylamino)ethyl)amino)-1-oxopropan-2-yl)adamantane-1-carboxamide
CID 3236105
(3r,5r,7r)-N-(2-(dimethylamino)ethyl)adamantane-1-carboxamide hydrochloride
CID 18552772
N-[2-(diethylamino)ethyl]-1-adamantanecarboxamide
CID 212875

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride (CID 16681791) is 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride is CC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride?
The InChIKey is VIFPSPFXFZDZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-12(18-4-5-19(2)3)16(20)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15,18H,4-11H2,1-3H3;1H.
What are the key properties of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride?
1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one;hydrochloride is sourced from PubChem (CID 16681791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).