N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one

C18H42N4O2 — CID 159310071

IUPACN-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
SMILESC.C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)NCCN(C)C
InChIInChI=1S/C8H16N2O.C8H18N2O.2CH4/c1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(11)9-5-6-10(3)4;;/h7,9H,3-6H2,1-2H3;7H,5-6H2,1-4H3,(H,9,11);2*1H4
InChIKeyLCKOTLILGLSKTI-UHFFFAOYSA-N
MW346.56 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one

N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 159310071) has the molecular formula C18H42N4O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID159310071
Molecular FormulaC18H42N4O2
Molecular Weight346.56 g/mol
Exact Mass346.33
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
SMILESC.C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)NCCN(C)C
InChIInChI=1S/C8H16N2O.C8H18N2O.2CH4/c1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(11)9-5-6-10(3)4;;/h7,9H,3-6H2,1-2H3;7H,5-6H2,1-4H3,(H,9,11);2*1H4
InChIKeyLCKOTLILGLSKTI-UHFFFAOYSA-N
XLogP1.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-methyl-N-(1-oxo-1-piperazin-1-ylpropan-2-yl)propanamide
CID 82020267
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide
CID 75396645
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
CID 108508416
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-ethylsulfanyl-3-methyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403905
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one (CID 159310071) is N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one is C.C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is LCKOTLILGLSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C8H18N2O.2CH4/c1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(11)9-5-6-10(3)4;;/h7,9H,3-6H2,1-2H3;7H,5-6H2,1-4H3,(H,9,11);2*1H4.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one?
N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 346.56 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 159310071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).