4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine

C59H124N10O8S — CID 157350608

IUPAC4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine
SMILESC.C.CC.CC.CC(=O)CCCCCN1C(=O)CC(SCCCCN(C)C)C1=O.CC(=O)CCCN(C)C.CC(=O)CCN(C)C.CC1CC(=O)N(C2CCC(C(=O)NNCCCN(C)C)CC2)C1=O.CNCCCN(C)C
InChIInChI=1S/C17H30N4O3.C17H30N2O3S.C7H15NO.C6H16N2.C6H13NO.2C2H6.2CH4/c1-12-11-15(22)21(17(12)24)14-7-5-13(6-8-14)16(23)19-18-9-4-10-20(2)3;1-14(20)9-5-4-6-11-19-16(21)13-15(17(19)22)23-12-8-7-10-18(2)3;1-7(9)5-4-6-8(2)3;1-7-5-4-6-8(2)3;1-6(8)4-5-7(2)3;2*1-2;;/h12-14,18H,4-11H2,1-3H3,(H,19,23);15H,4-13H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3;2*1H4
InChIKeyBHMFRGCCZARKAN-UHFFFAOYSA-N
MW1133.77 g/mol
LogP7.78
Rot. Bonds30

About 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine

4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 157350608) has the molecular formula C59H124N10O8S and a molecular weight of 1133.77 g/mol. Its IUPAC name is 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine
PubChem CID157350608
Molecular FormulaC59H124N10O8S
Molecular Weight1133.77 g/mol
Exact Mass1132.93
IUPAC Name4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine
SMILESC.C.CC.CC.CC(=O)CCCCCN1C(=O)CC(SCCCCN(C)C)C1=O.CC(=O)CCCN(C)C.CC(=O)CCN(C)C.CC1CC(=O)N(C2CCC(C(=O)NNCCCN(C)C)CC2)C1=O.CNCCCN(C)C
InChIInChI=1S/C17H30N4O3.C17H30N2O3S.C7H15NO.C6H16N2.C6H13NO.2C2H6.2CH4/c1-12-11-15(22)21(17(12)24)14-7-5-13(6-8-14)16(23)19-18-9-4-10-20(2)3;1-14(20)9-5-4-6-11-19-16(21)13-15(17(19)22)23-12-8-7-10-18(2)3;1-7(9)5-4-6-8(2)3;1-7-5-4-6-8(2)3;1-6(8)4-5-7(2)3;2*1-2;;/h12-14,18H,4-11H2,1-3H3,(H,19,23);15H,4-13H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3;2*1H4
InChIKeyBHMFRGCCZARKAN-UHFFFAOYSA-N
XLogP7.78
TPSA195.33 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.77
LogP ≤ 57.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine (CID 157350608) is 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine is C.C.CC.CC.CC(=O)CCCCCN1C(=O)CC(SCCCCN(C)C)C1=O.CC(=O)CCCN(C)C.CC(=O)CCN(C)C.CC1CC(=O)N(C2CCC(C(=O)NNCCCN(C)C)CC2)C1=O.CNCCCN(C)C.
What is the InChIKey of 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is BHMFRGCCZARKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3.C17H30N2O3S.C7H15NO.C6H16N2.C6H13NO.2C2H6.2CH4/c1-12-11-15(22)21(17(12)24)14-7-5-13(6-8-14)16(23)19-18-9-4-10-20(2)3;1-14(20)9-5-4-6-11-19-16(21)13-15(17(19)22)23-12-8-7-10-18(2)3;1-7(9)5-4-6-8(2)3;1-7-5-4-6-8(2)3;1-6(8)4-5-7(2)3;2*1-2;;/h12-14,18H,4-11H2,1-3H3,(H,19,23);15H,4-13H2,1-3H3;4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H2,1-3H3;2*1-2H3;2*1H4.
What are the key properties of 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine?
4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 1133.77 g/mol, XLogP of 7.78, 30 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butan-2-one;3-[4-(dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione;5-(dimethylamino)pentan-2-one;N'-[3-(dimethylamino)propyl]-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carbohydrazide;ethane;methane;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 157350608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).