2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C37H75N5O6 — CID 162256607

IUPAC2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(=O)C(C)C.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.COC(C)C
InChIInChI=1S/C11H22N2O.C9H18N2O.C8H15NO2.C5H10O.C4H10O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-4(2)5(3)6;1-4(2)5-3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4H,1-3H3;4H,1-3H3
InChIKeyZYRFVMNMOVVVCY-UHFFFAOYSA-N
MW686.04 g/mol
LogP4.39
Rot. Bonds6

About 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 162256607) has the molecular formula C37H75N5O6 and a molecular weight of 686.04 g/mol. Its IUPAC name is 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID162256607
Molecular FormulaC37H75N5O6
Molecular Weight686.04 g/mol
Exact Mass685.57
IUPAC Name2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(=O)C(C)C.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.COC(C)C
InChIInChI=1S/C11H22N2O.C9H18N2O.C8H15NO2.C5H10O.C4H10O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-4(2)5(3)6;1-4(2)5-3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4H,1-3H3;4H,1-3H3
InChIKeyZYRFVMNMOVVVCY-UHFFFAOYSA-N
XLogP4.39
TPSA102.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500686.04
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 162256607) is 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(=O)C(C)C.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.COC(C)C.
What is the InChIKey of 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZYRFVMNMOVVVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C9H18N2O.C8H15NO2.C5H10O.C4H10O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-4(2)5(3)6;1-4(2)5-3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4H,1-3H3;4H,1-3H3.
What are the key properties of 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 686.04 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropane;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 162256607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).