N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)

C86H151N17O6 — CID 159120227

IUPACN-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)
SMILESCC(=O)N(C)CCN1CCCC1.CC(=O)N(C)CCN1CCN(C)CC1.CC(=O)N(C)CCN1CCNCC1.CC(=O)N(C)CCN1CCOCC1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CCN(CC)CCN(C)C(C)=O
InChIInChI=1S/C10H21N3O.C9H19N3O.C9H18N2O2.C9H18N2O.C9H20N2O.5C8H11N/c1-10(14)12(3)6-9-13-7-4-11(2)5-8-13;1-9(13)11(2)7-8-12-5-3-10-4-6-12;1-9(12)10(2)3-4-11-5-7-13-8-6-11;1-9(12)10(2)7-8-11-5-3-4-6-11;1-5-11(6-2)8-7-10(4)9(3)12;5*1-7(2)8-4-3-5-9-6-8/h4-9H2,1-3H3;10H,3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;5-8H2,1-4H3;5*3-7H,1-2H3
InChIKeyKFPHYSAPVGFKME-UHFFFAOYSA-N
MW1519.27 g/mol
LogP11.27
Rot. Bonds22

About N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)

N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) (PubChem CID 159120227) has the molecular formula C86H151N17O6 and a molecular weight of 1519.27 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine).

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)
PubChem CID159120227
Molecular FormulaC86H151N17O6
Molecular Weight1519.27 g/mol
Exact Mass1518.20
IUPAC NameN-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)
SMILESCC(=O)N(C)CCN1CCCC1.CC(=O)N(C)CCN1CCN(C)CC1.CC(=O)N(C)CCN1CCNCC1.CC(=O)N(C)CCN1CCOCC1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CCN(CC)CCN(C)C(C)=O
InChIInChI=1S/C10H21N3O.C9H19N3O.C9H18N2O2.C9H18N2O.C9H20N2O.5C8H11N/c1-10(14)12(3)6-9-13-7-4-11(2)5-8-13;1-9(13)11(2)7-8-12-5-3-10-4-6-12;1-9(12)10(2)3-4-11-5-7-13-8-6-11;1-9(12)10(2)7-8-11-5-3-4-6-11;1-5-11(6-2)8-7-10(4)9(3)12;5*1-7(2)8-4-3-5-9-6-8/h4-9H2,1-3H3;10H,3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;5-8H2,1-4H3;5*3-7H,1-2H3
InChIKeyKFPHYSAPVGFKME-UHFFFAOYSA-N
XLogP11.27
TPSA206.70 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.27
LogP ≤ 511.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-N-methylacetamide;N-[2-(dimethylamino)ethyl]-N-methylacetamide;bis(N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide);bis(N-methyl-N-(2-morpholin-4-ylethyl)acetamide);bis(N-methyl-N-(2-piperazin-1-ylethyl)acetamide);N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexakis(3-propan-2-ylpyridine);tris(4-propan-2-ylpyridine)
CID 162237404
cumene;N,N-diethyl-2-methoxyethanamine;N,N-diethyl-2-methylsulfonylethanamine;N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide;N,N-dimethyl-2-methylsulfonylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperazine;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;1-methyl-4-(2-methylsulfonylethyl)piperazine;4-(2-methylsulfonylethyl)morpholine;1-(2-methylsulfonylethyl)piperazine;1-(2-methylsulfonylethyl)piperidine;1-(2-methylsulfonylethyl)pyrrolidine
CID 160888818
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
2-[methyl-(2-piperazin-1-yl-1-pyridin-3-ylethyl)amino]ethanol
CID 82201784
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) (CID 159120227) is N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine).
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) is CC(=O)N(C)CCN1CCCC1.CC(=O)N(C)CCN1CCN(C)CC1.CC(=O)N(C)CCN1CCNCC1.CC(=O)N(C)CCN1CCOCC1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CCN(CC)CCN(C)C(C)=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)?
The InChIKey is KFPHYSAPVGFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C9H19N3O.C9H18N2O2.C9H18N2O.C9H20N2O.5C8H11N/c1-10(14)12(3)6-9-13-7-4-11(2)5-8-13;1-9(13)11(2)7-8-12-5-3-10-4-6-12;1-9(12)10(2)3-4-11-5-7-13-8-6-11;1-9(12)10(2)7-8-11-5-3-4-6-11;1-5-11(6-2)8-7-10(4)9(3)12;5*1-7(2)8-4-3-5-9-6-8/h4-9H2,1-3H3;10H,3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;5-8H2,1-4H3;5*3-7H,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)?
N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) has a molecular weight of 1519.27 g/mol, XLogP of 11.27, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine) is sourced from PubChem (CID 159120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).