2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C104H221N9O12 — CID 157238464

IUPAC2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCCN1.CC1CCN(CCOC(C)(C)C)CC1.CCCN(CCO)CCOC(C)(C)C.CCN(CCO)CCOC(C)(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O.C12H25NO.C11H25NO2.C11H23NO.C11H22O.C10H23NO2.C10H21NO.C10H20O.C9H19NO.C8H17NO/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;1-5-6-12(7-9-13)8-10-14-11(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-11(6-8-12)7-9-13-10(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)11-8-9-6-4-5-7-9;1-9(2,3)11-7-8-5-4-6-10-8;1-8(2,3)10-7-5-9(4)6-7/h5-11H2,1-4H3;11H,5-10H2,1-4H3;13H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;12H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3
InChIKeyAUXQVUMMSPLUPL-UHFFFAOYSA-N
MW1789.96 g/mol
LogP19.68
Rot. Bonds30

About 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 157238464) has the molecular formula C104H221N9O12 and a molecular weight of 1789.96 g/mol. Its IUPAC name is 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID157238464
Molecular FormulaC104H221N9O12
Molecular Weight1789.96 g/mol
Exact Mass1788.70
IUPAC Name2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCCN1.CC1CCN(CCOC(C)(C)C)CC1.CCCN(CCO)CCOC(C)(C)C.CCN(CCO)CCOC(C)(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O.C12H25NO.C11H25NO2.C11H23NO.C11H22O.C10H23NO2.C10H21NO.C10H20O.C9H19NO.C8H17NO/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;1-5-6-12(7-9-13)8-10-14-11(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-11(6-8-12)7-9-13-10(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)11-8-9-6-4-5-7-9;1-9(2,3)11-7-8-5-4-6-10-8;1-8(2,3)10-7-5-9(4)6-7/h5-11H2,1-4H3;11H,5-10H2,1-4H3;13H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;12H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3
InChIKeyAUXQVUMMSPLUPL-UHFFFAOYSA-N
XLogP19.68
TPSA170.71 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.96
LogP ≤ 519.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 157238464) is 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCCN1.CC1CCN(CCOC(C)(C)C)CC1.CCCN(CCO)CCOC(C)(C)C.CCN(CCO)CCOC(C)(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CN1CCN(CCCOC(C)(C)C)CC1.
What is the InChIKey of 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is AUXQVUMMSPLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C12H25NO.C11H25NO2.C11H23NO.C11H22O.C10H23NO2.C10H21NO.C10H20O.C9H19NO.C8H17NO/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;1-5-6-12(7-9-13)8-10-14-11(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-11(6-8-12)7-9-13-10(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)11-8-9-6-4-5-7-9;1-9(2,3)11-7-8-5-4-6-10-8;1-8(2,3)10-7-5-9(4)6-7/h5-11H2,1-4H3;11H,5-10H2,1-4H3;13H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;12H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3.
What are the key properties of 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 1789.96 g/mol, XLogP of 19.68, 30 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 157238464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).