3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)

C74H148N12O9 — CID 163802675

IUPAC3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)
SMILESCC(=O)N1CCCC(CNC(C)(C)C)C1.CC(=O)N1CCOCC1CNC(C)(C)C.CC(C)(C)NCC1COCCN1C=O.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCOCC1CNC(C)(C)C
InChIInChI=1S/2C14H28N2O.C13H26N2O2.C12H24N2O.C11H22N2O2.C10H20N2O2/c2*1-11(2)13(17)16-8-6-7-12(10-16)9-15-14(3,4)5;1-10(2)12(16)15-6-7-17-9-11(15)8-14-13(3,4)5;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4;1-10(2,3)11-6-9-7-14-5-4-12(9)8-13/h2*11-12,15H,6-10H2,1-5H3;10-11,14H,6-9H2,1-5H3;11,13H,5-9H2,1-4H3;10,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3
InChIKeyNGIUFYDHRDCUBU-UHFFFAOYSA-N
MW1350.07 g/mol
LogP8.28
Rot. Bonds16

About 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)

3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) (PubChem CID 163802675) has the molecular formula C74H148N12O9 and a molecular weight of 1350.07 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one).

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)
PubChem CID163802675
Molecular FormulaC74H148N12O9
Molecular Weight1350.07 g/mol
Exact Mass1349.15
IUPAC Name3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)
SMILESCC(=O)N1CCCC(CNC(C)(C)C)C1.CC(=O)N1CCOCC1CNC(C)(C)C.CC(C)(C)NCC1COCCN1C=O.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCOCC1CNC(C)(C)C
InChIInChI=1S/2C14H28N2O.C13H26N2O2.C12H24N2O.C11H22N2O2.C10H20N2O2/c2*1-11(2)13(17)16-8-6-7-12(10-16)9-15-14(3,4)5;1-10(2)12(16)15-6-7-17-9-11(15)8-14-13(3,4)5;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4;1-10(2,3)11-6-9-7-14-5-4-12(9)8-13/h2*11-12,15H,6-10H2,1-5H3;10-11,14H,6-9H2,1-5H3;11,13H,5-9H2,1-4H3;10,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3
InChIKeyNGIUFYDHRDCUBU-UHFFFAOYSA-N
XLogP8.28
TPSA221.73 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001350.07
LogP ≤ 58.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) with MolForge

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Related Compounds

N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N-methylpropanamide;N-(3-aminopropyl)propanamide;1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]propanamide;N,3-dimethylbutanamide;ethane;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N-methylpropanamide;N-(2-methoxyethyl)propanamide;N-[3-(methylamino)propyl]propanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;N-methyl-N-[2-(methylamino)ethyl]propanamide;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one;N-piperidin-4-ylpropanamide;1-piperidin-1-ylpropan-1-one
CID 157229740
2,2-Dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157278878
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-ol;1-tert-butylpiperidin-4-one;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;2-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanol;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 157440951
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;4-(2,2-dimethylpropoxy)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 158331586
N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 158796046
1-(3-aminoazetidin-1-yl)-2-methylpropan-1-one;N-[2-(diethylamino)ethyl]-2-methylpropanamide;1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methylbutane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;propan-2-amine
CID 158833060
1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2,5-dimethylpiperidine;1-tert-butyl-3,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,6-trimethylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 158934849
(2S,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3R)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;(2R,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 159105749
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 159299365
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 159363779
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-one;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;2-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanol;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 159393612
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone
CID 159609006

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)?
The IUPAC name of 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) (CID 163802675) is 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one).
What is the SMILES notation for 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)?
The canonical SMILES for 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) is CC(=O)N1CCCC(CNC(C)(C)C)C1.CC(=O)N1CCOCC1CNC(C)(C)C.CC(C)(C)NCC1COCCN1C=O.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCCC(CNC(C)(C)C)C1.CC(C)C(=O)N1CCOCC1CNC(C)(C)C.
What is the InChIKey of 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)?
The InChIKey is NGIUFYDHRDCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H28N2O.C13H26N2O2.C12H24N2O.C11H22N2O2.C10H20N2O2/c2*1-11(2)13(17)16-8-6-7-12(10-16)9-15-14(3,4)5;1-10(2)12(16)15-6-7-17-9-11(15)8-14-13(3,4)5;1-10(15)14-7-5-6-11(9-14)8-13-12(2,3)4;1-9(14)13-5-6-15-8-10(13)7-12-11(2,3)4;1-10(2,3)11-6-9-7-14-5-4-12(9)8-13/h2*11-12,15H,6-10H2,1-5H3;10-11,14H,6-9H2,1-5H3;11,13H,5-9H2,1-4H3;10,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one)?
3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) has a molecular weight of 1350.07 g/mol, XLogP of 8.28, 16 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]morpholine-4-carbaldehyde;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone;1-[3-[(tert-butylamino)methyl]morpholin-4-yl]-2-methylpropan-1-one;1-[3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(1-[3-[(tert-butylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one) is sourced from PubChem (CID 163802675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).