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

C17H30N2O — CID 3807199

IUPAC1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one
SMILESCC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/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
InChIKeyQAQHYMNIBXLQNG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.31
Rot. Bonds6

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

1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one (PubChem CID 3807199) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one
PubChem CID3807199
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one
SMILESCC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/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
InChIKeyQAQHYMNIBXLQNG-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
1-Adamantan-1-yl-2-(2-dimethylamino-ethylamino)-propan-1-one
CID 16681791
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
Ethanaminium, N-ethyl-N,N-dimethyl-2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, iodide
CID 3041450
(3r,5r,7r)-N-(1-((2-(dimethylamino)ethyl)amino)-1-oxopropan-2-yl)adamantane-1-carboxamide
CID 3236105
N-[2-(diethylamino)ethyl]-1-adamantanecarboxamide
CID 212875
2-(Dimethylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2728846

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one?
The IUPAC name of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one (CID 3807199) is 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one is CC(NCCN(C)C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one?
The InChIKey is QAQHYMNIBXLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/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.
What are the key properties of 1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one?
1-(1-adamantyl)-2-[2-(dimethylamino)ethylamino]propan-1-one has a molecular weight of 278.44 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 3807199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).