N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline

C197H283N25O41S — CID 160797111

IUPACN-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline
SMILESCCC(=O)CCCN(CC)CC.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCCCCN(CC)CC.CCN(CC)CCCCC(=O)OC.CCN(CC)CCCOC.CCN(CC)CCCOC(=O)OC.CCN(CC)CCNC(C)=O.CCN(CC)CCSC.CCOCCN(CC)CC.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C10H21NO2.C10H21NO.C9H19NO3.8C9H7N.C9H21N.C8H18N2O.2C8H19NO.8C7H9NO4.C7H17NS/c1-4-11(5-2)9-7-6-8-10(12)13-3;1-4-10(12)8-7-9-11(5-2)6-3;1-4-10(5-2)7-6-8-13-9(11)12-3;8*1-2-6-9-8(4-1)5-3-7-10-9;1-4-7-8-9-10(5-2)6-3;1-4-10(5-2)7-6-9-8(3)11;1-4-9(5-2)7-6-8-10-3;1-4-9(5-2)7-8-10-6-3;8*1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-8(5-2)6-7-9-3/h4-9H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;8*1-7H;4-9H2,1-3H3;4-7H2,1-3H3,(H,9,11);2*4-8H2,1-3H3;8*2-4H2,1H3;4-7H2,1-3H3
InChIKeySCOVANFIVHAIBV-UHFFFAOYSA-N
MW3689.63 g/mol
LogP30.57
Rot. Bonds64

About N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline

N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline (PubChem CID 160797111) has the molecular formula C197H283N25O41S and a molecular weight of 3689.63 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline
PubChem CID160797111
Molecular FormulaC197H283N25O41S
Molecular Weight3689.63 g/mol
Exact Mass3687.05
IUPAC NameN-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline
SMILESCCC(=O)CCCN(CC)CC.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCCCCN(CC)CC.CCN(CC)CCCCC(=O)OC.CCN(CC)CCCOC.CCN(CC)CCCOC(=O)OC.CCN(CC)CCNC(C)=O.CCN(CC)CCSC.CCOCCN(CC)CC.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C10H21NO2.C10H21NO.C9H19NO3.8C9H7N.C9H21N.C8H18N2O.2C8H19NO.8C7H9NO4.C7H17NS/c1-4-11(5-2)9-7-6-8-10(12)13-3;1-4-10(12)8-7-9-11(5-2)6-3;1-4-10(5-2)7-6-8-13-9(11)12-3;8*1-2-6-9-8(4-1)5-3-7-10-9;1-4-7-8-9-10(5-2)6-3;1-4-10(5-2)7-6-9-8(3)11;1-4-9(5-2)7-6-8-10-3;1-4-9(5-2)7-8-10-6-3;8*1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-8(5-2)6-7-9-3/h4-9H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;8*1-7H;4-9H2,1-3H3;4-7H2,1-3H3,(H,9,11);2*4-8H2,1-3H3;8*2-4H2,1H3;4-7H2,1-3H3
InChIKeySCOVANFIVHAIBV-UHFFFAOYSA-N
XLogP30.57
TPSA764.94 Ų
H-Bond Donors1
H-Bond Acceptors58
Rotatable Bonds64
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003689.63
LogP ≤ 530.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline?
The IUPAC name of N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline (CID 160797111) is N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline.
What is the SMILES notation for N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline?
The canonical SMILES for N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline is CCC(=O)CCCN(CC)CC.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCC(=O)ON1C(=O)CCC1=O.CCCCCN(CC)CC.CCN(CC)CCCCC(=O)OC.CCN(CC)CCCOC.CCN(CC)CCCOC(=O)OC.CCN(CC)CCNC(C)=O.CCN(CC)CCSC.CCOCCN(CC)CC.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline?
The InChIKey is SCOVANFIVHAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C10H21NO.C9H19NO3.8C9H7N.C9H21N.C8H18N2O.2C8H19NO.8C7H9NO4.C7H17NS/c1-4-11(5-2)9-7-6-8-10(12)13-3;1-4-10(12)8-7-9-11(5-2)6-3;1-4-10(5-2)7-6-8-13-9(11)12-3;8*1-2-6-9-8(4-1)5-3-7-10-9;1-4-7-8-9-10(5-2)6-3;1-4-10(5-2)7-6-9-8(3)11;1-4-9(5-2)7-6-8-10-3;1-4-9(5-2)7-8-10-6-3;8*1-2-7(11)12-8-5(9)3-4-6(8)10;1-4-8(5-2)6-7-9-3/h4-9H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;8*1-7H;4-9H2,1-3H3;4-7H2,1-3H3,(H,9,11);2*4-8H2,1-3H3;8*2-4H2,1H3;4-7H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline?
N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline has a molecular weight of 3689.63 g/mol, XLogP of 30.57, 64 rotatable bonds, 1 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]acetamide;6-(diethylamino)hexan-3-one;3-(diethylamino)propyl methyl carbonate;N,N-diethyl-3-methoxypropan-1-amine;N,N-diethyl-2-methylsulfanylethanamine;N,N-diethylpentan-1-amine;octakis((2,5-dioxopyrrolidin-1-yl) propanoate);2-ethoxy-N,N-diethylethanamine;methyl 5-(diethylamino)pentanoate;quinoline is sourced from PubChem (CID 160797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).