3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten

C126H282N14O3W8-8 — CID 158095762

IUPAC3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC[N-]1.CC(C)(C)C1CCC[N-]1.CC(C)(C)C1CCC[N-]C1.CC(C)(C)C1CC[N-]C1.CC(C)(C)C1CC[N-]CC1.CC(C)(C)C1C[N-]CCO1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[N-]CC1.CN1CCOCC1C(C)(C)C.CN1CC[N-]CC1C(C)(C)C.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C9H19N2.C9H19NO.2C9H18N.C9H19N.C9H18N.C8H17N2.C8H17NO.C8H16NO.C8H16N.C8H17N.C8H16N.12C2H6.8W/c1-9(2,3)8-7-10-5-6-11(8)4;1-9(2,3)8-7-11-6-5-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;12*1-2;;;;;;;;/h2*8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;2*4-7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;12*1-2H3;;;;;;;;/q-1;;2*-1;;2*-1;;2*-1;;-1;;;;;;;;;;;;;;;;;;;;
InChIKeyXARMOHSVYCKBBI-UHFFFAOYSA-N
MW3512.46 g/mol
LogP37.51
Rot. Bonds

About 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten

3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten (PubChem CID 158095762) has the molecular formula C126H282N14O3W8-8 and a molecular weight of 3512.46 g/mol. Its IUPAC name is 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten.

Molecular Properties

Compound Name3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
PubChem CID158095762
Molecular FormulaC126H282N14O3W8-8
Molecular Weight3512.46 g/mol
Exact Mass3511.85
IUPAC Name3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC[N-]1.CC(C)(C)C1CCC[N-]1.CC(C)(C)C1CCC[N-]C1.CC(C)(C)C1CC[N-]C1.CC(C)(C)C1CC[N-]CC1.CC(C)(C)C1C[N-]CCO1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[N-]CC1.CN1CCOCC1C(C)(C)C.CN1CC[N-]CC1C(C)(C)C.[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C9H19N2.C9H19NO.2C9H18N.C9H19N.C9H18N.C8H17N2.C8H17NO.C8H16NO.C8H16N.C8H17N.C8H16N.12C2H6.8W/c1-9(2,3)8-7-10-5-6-11(8)4;1-9(2,3)8-7-11-6-5-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;12*1-2;;;;;;;;/h2*8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;2*4-7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;12*1-2H3;;;;;;;;/q-1;;2*-1;;2*-1;;2*-1;;-1;;;;;;;;;;;;;;;;;;;;
InChIKeyXARMOHSVYCKBBI-UHFFFAOYSA-N
XLogP37.51
TPSA159.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003512.46
LogP ≤ 537.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten?
The IUPAC name of 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten (CID 158095762) is 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten.
What is the SMILES notation for 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten?
The canonical SMILES for 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC[N-]1.CC(C)(C)C1CCC[N-]1.CC(C)(C)C1CCC[N-]C1.CC(C)(C)C1CC[N-]C1.CC(C)(C)C1CC[N-]CC1.CC(C)(C)C1C[N-]CCO1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[N-]CC1.CN1CCOCC1C(C)(C)C.CN1CC[N-]CC1C(C)(C)C.[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten?
The InChIKey is XARMOHSVYCKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2.C9H19NO.2C9H18N.C9H19N.C9H18N.C8H17N2.C8H17NO.C8H16NO.C8H16N.C8H17N.C8H16N.12C2H6.8W/c1-9(2,3)8-7-10-5-6-11(8)4;1-9(2,3)8-7-11-6-5-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;12*1-2;;;;;;;;/h2*8H,5-7H2,1-4H3;2*8H,4-7H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;2*4-7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;12*1-2H3;;;;;;;;/q-1;;2*-1;;2*-1;;2*-1;;-1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten?
3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten has a molecular weight of 3512.46 g/mol, XLogP of 37.51, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methylmorpholine;2-tert-butyl-1-methylpiperazin-4-ide;4-tert-butylmorpholine;2-tert-butylmorpholin-4-ide;1-tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten is sourced from PubChem (CID 158095762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).