[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane

C104H221N15O13 — CID 159860126

IUPAC[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC1(C)COC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C
InChIInChI=1S/C15H31N3O.2C13H27N3O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O/c1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5/h12-13H,8-11H2,1-7H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3/t12-,13+;;12-;;;2*8-;;;;/m1.1..10..../s1
InChIKeyNRAOWQOTADHITM-CGWZSLQMSA-N
MW1890.00 g/mol
LogP11.70
Rot. Bonds21

About [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane

[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane (PubChem CID 159860126) has the molecular formula C104H221N15O13 and a molecular weight of 1890.00 g/mol. Its IUPAC name is [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane
PubChem CID159860126
Molecular FormulaC104H221N15O13
Molecular Weight1890.00 g/mol
Exact Mass1888.71
IUPAC Name[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC1(C)COC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C
InChIInChI=1S/C15H31N3O.2C13H27N3O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O/c1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5/h12-13H,8-11H2,1-7H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3/t12-,13+;;12-;;;2*8-;;;;/m1.1..10..../s1
InChIKeyNRAOWQOTADHITM-CGWZSLQMSA-N
XLogP11.70
TPSA261.53 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.00
LogP ≤ 511.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane?
The IUPAC name of [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane (CID 159860126) is [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane.
What is the SMILES notation for [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane?
The canonical SMILES for [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane is CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CCCO.CC(C)(C)CCOCCO.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@@H]1CO.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.CC1(C)COC1.CN(C)C(=O)CN1CCN(CC(C)(C)C)CC1.COCCC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1CC(=O)N(C)C.
What is the InChIKey of [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane?
The InChIKey is NRAOWQOTADHITM-CGWZSLQMSA-N. The full InChI is InChI=1S/C15H31N3O.2C13H27N3O.C9H18N2O.C9H20N2.2C9H19NO2.C8H18O2.2C7H16O.C5H10O/c1-12-9-18(11-15(3,4)5)13(2)8-17(12)10-14(19)16(6)7;1-13(2,3)11-16-8-6-15(7-9-16)10-12(17)14(4)5;1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;2*1-9(2,3)10-4-5-12-7-8(10)6-11;1-8(2,3)4-6-10-7-5-9;1-7(2,3)5-6-8-4;1-7(2,3)5-4-6-8;1-5(2)3-6-4-5/h12-13H,8-11H2,1-7H3;6-11H2,1-5H3;11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;2*8,11H,4-7H2,1-3H3;9H,4-7H2,1-3H3;5-6H2,1-4H3;8H,4-6H2,1-3H3;3-4H2,1-2H3/t12-,13+;;12-;;;2*8-;;;;/m1.1..10..../s1.
What are the key properties of [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane?
[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane has a molecular weight of 1890.00 g/mol, XLogP of 11.70, 21 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;2-(3,3-dimethylbutoxy)ethanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;3,3-dimethyloxetane;4,4-dimethylpentan-1-ol;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]-N,N-dimethylacetamide;1-methoxy-3,3-dimethylbutane is sourced from PubChem (CID 159860126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).