1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde

C126H252N20O16 — CID 163665004

IUPAC1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde
SMILESCC(=O)N1CCC[C@@H](CNC(C)(C)C)C1.CC(=O)N1CCOC(CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@@H](CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@H](CC(C)(C)CNC(C)(C)C)C1.CC(C)(C)NCC1CCCN(C=O)C1.CC(C)(C)NCCCC1CN(C=O)CCO1.CC(C)(C)NCCC[C@@H]1CN(C=O)CCO1.CC(C)(C)NCCC[C@H]1CN(C=O)CCO1.CC(C)(C)NC[C@@H]1CCCN(C=O)C1.CC(C)(C)NC[C@H]1CCCN(C=O)C1
InChIInChI=1S/3C15H30N2O2.3C12H24N2O2.C12H24N2O.3C11H22N2O/c3*1-12(18)17-7-8-19-13(10-17)9-15(5,6)11-16-14(2,3)4;3*1-12(2,3)13-6-4-5-11-9-14(10-15)7-8-16-11;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;3*1-11(2,3)12-7-10-5-4-6-13(8-10)9-14/h3*13,16H,7-11H2,1-6H3;3*10-11,13H,4-9H2,1-3H3;11,13H,5-9H2,1-4H3;3*9-10,12H,4-8H2,1-3H3/t2*13-;;2*11-;;11-;2*10-;/m10.10.010./s1
InChIKeyIXPROCQTIXFXGX-WNSUGAIPSA-N
MW2303.53 g/mol
LogP14.51
Rot. Bonds38

About 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde

1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde (PubChem CID 163665004) has the molecular formula C126H252N20O16 and a molecular weight of 2303.53 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde
PubChem CID163665004
Molecular FormulaC126H252N20O16
Molecular Weight2303.53 g/mol
Exact Mass2301.95
IUPAC Name1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde
SMILESCC(=O)N1CCC[C@@H](CNC(C)(C)C)C1.CC(=O)N1CCOC(CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@@H](CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@H](CC(C)(C)CNC(C)(C)C)C1.CC(C)(C)NCC1CCCN(C=O)C1.CC(C)(C)NCCCC1CN(C=O)CCO1.CC(C)(C)NCCC[C@@H]1CN(C=O)CCO1.CC(C)(C)NCCC[C@H]1CN(C=O)CCO1.CC(C)(C)NC[C@@H]1CCCN(C=O)C1.CC(C)(C)NC[C@H]1CCCN(C=O)C1
InChIInChI=1S/3C15H30N2O2.3C12H24N2O2.C12H24N2O.3C11H22N2O/c3*1-12(18)17-7-8-19-13(10-17)9-15(5,6)11-16-14(2,3)4;3*1-12(2,3)13-6-4-5-11-9-14(10-15)7-8-16-11;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;3*1-11(2,3)12-7-10-5-4-6-13(8-10)9-14/h3*13,16H,7-11H2,1-6H3;3*10-11,13H,4-9H2,1-3H3;11,13H,5-9H2,1-4H3;3*9-10,12H,4-8H2,1-3H3/t2*13-;;2*11-;;11-;2*10-;/m10.10.010./s1
InChIKeyIXPROCQTIXFXGX-WNSUGAIPSA-N
XLogP14.51
TPSA378.78 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.53
LogP ≤ 514.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde with MolForge

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Related Compounds

2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde
CID 162424221
2-methyl-N-[3-[(2R)-4-methylmorpholin-2-yl]propyl]propan-2-amine
CID 162424215
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone
CID 129059228
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
tert-butyl 3-[2-(oxolan-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 107249811
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde?
The IUPAC name of 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde (CID 163665004) is 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde?
The canonical SMILES for 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde is CC(=O)N1CCC[C@@H](CNC(C)(C)C)C1.CC(=O)N1CCOC(CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@@H](CC(C)(C)CNC(C)(C)C)C1.CC(=O)N1CCO[C@H](CC(C)(C)CNC(C)(C)C)C1.CC(C)(C)NCC1CCCN(C=O)C1.CC(C)(C)NCCCC1CN(C=O)CCO1.CC(C)(C)NCCC[C@@H]1CN(C=O)CCO1.CC(C)(C)NCCC[C@H]1CN(C=O)CCO1.CC(C)(C)NC[C@@H]1CCCN(C=O)C1.CC(C)(C)NC[C@H]1CCCN(C=O)C1.
What is the InChIKey of 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde?
The InChIKey is IXPROCQTIXFXGX-WNSUGAIPSA-N. The full InChI is InChI=1S/3C15H30N2O2.3C12H24N2O2.C12H24N2O.3C11H22N2O/c3*1-12(18)17-7-8-19-13(10-17)9-15(5,6)11-16-14(2,3)4;3*1-12(2,3)13-6-4-5-11-9-14(10-15)7-8-16-11;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;3*1-11(2,3)12-7-10-5-4-6-13(8-10)9-14/h3*13,16H,7-11H2,1-6H3;3*10-11,13H,4-9H2,1-3H3;11,13H,5-9H2,1-4H3;3*9-10,12H,4-8H2,1-3H3/t2*13-;;2*11-;;11-;2*10-;/m10.10.010./s1.
What are the key properties of 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde?
1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde has a molecular weight of 2303.53 g/mol, XLogP of 14.51, 38 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 163665004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).