5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine

C112H179N15O6S — CID 157134298

IUPAC5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine
SMILESC=C1CN(Cc2ccc(C(C)(C)C)cn2)CCN1.CC(C)(C)c1ccc(CNCCS(C)(=O)=O)nc1.CC(c1ccc(C(C)(C)C)cn1)N1CCOCC1.CCCN(C)c1cc(C(C)(C)C)ccn1.CN1Cc2ccc(C(C)(C)C)cc2C1.COC1CN(Cc2ccc(C(C)(C)C)cn2)C1.COCCN(C)Cc1ccc(C(C)(C)C)cn1.COCCN1Cc2ccc(C(C)(C)C)cc2C1
InChIInChI=1S/C15H23N3.C15H24N2O.C15H23NO.C14H22N2O.C14H24N2O.C13H22N2O2S.C13H22N2.C13H19N/c1-12-10-18(8-7-16-12)11-14-6-5-13(9-17-14)15(2,3)4;1-12(17-7-9-18-10-8-17)14-6-5-13(11-16-14)15(2,3)4;1-15(2,3)14-6-5-12-10-16(7-8-17-4)11-13(12)9-14;1-14(2,3)11-5-6-12(15-7-11)8-16-9-13(10-16)17-4;1-14(2,3)12-6-7-13(15-10-12)11-16(4)8-9-17-5;1-13(2,3)11-5-6-12(15-9-11)10-14-7-8-18(4,16)17;1-6-9-15(5)12-10-11(7-8-14-12)13(2,3)4;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12/h5-6,9,16H,1,7-8,10-11H2,2-4H3;5-6,11-12H,7-10H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;5-7,13H,8-10H2,1-4H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,14H,7-8,10H2,1-4H3;7-8,10H,6,9H2,1-5H3;5-7H,8-9H2,1-4H3
InChIKeyAJLCGQBULYODTN-UHFFFAOYSA-N
MW1863.83 g/mol
LogP20.35
Rot. Bonds23

About 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine

5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine (PubChem CID 157134298) has the molecular formula C112H179N15O6S and a molecular weight of 1863.83 g/mol. Its IUPAC name is 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound Name5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine
PubChem CID157134298
Molecular FormulaC112H179N15O6S
Molecular Weight1863.83 g/mol
Exact Mass1862.39
IUPAC Name5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine
SMILESC=C1CN(Cc2ccc(C(C)(C)C)cn2)CCN1.CC(C)(C)c1ccc(CNCCS(C)(=O)=O)nc1.CC(c1ccc(C(C)(C)C)cn1)N1CCOCC1.CCCN(C)c1cc(C(C)(C)C)ccn1.CN1Cc2ccc(C(C)(C)C)cc2C1.COC1CN(Cc2ccc(C(C)(C)C)cn2)C1.COCCN(C)Cc1ccc(C(C)(C)C)cn1.COCCN1Cc2ccc(C(C)(C)C)cc2C1
InChIInChI=1S/C15H23N3.C15H24N2O.C15H23NO.C14H22N2O.C14H24N2O.C13H22N2O2S.C13H22N2.C13H19N/c1-12-10-18(8-7-16-12)11-14-6-5-13(9-17-14)15(2,3)4;1-12(17-7-9-18-10-8-17)14-6-5-13(11-16-14)15(2,3)4;1-15(2,3)14-6-5-12-10-16(7-8-17-4)11-13(12)9-14;1-14(2,3)11-5-6-12(15-7-11)8-16-9-13(10-16)17-4;1-14(2,3)12-6-7-13(15-10-12)11-16(4)8-9-17-5;1-13(2,3)11-5-6-12(15-9-11)10-14-7-8-18(4,16)17;1-6-9-15(5)12-10-11(7-8-14-12)13(2,3)4;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12/h5-6,9,16H,1,7-8,10-11H2,2-4H3;5-6,11-12H,7-10H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;5-7,13H,8-10H2,1-4H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,14H,7-8,10H2,1-4H3;7-8,10H,6,9H2,1-5H3;5-7H,8-9H2,1-4H3
InChIKeyAJLCGQBULYODTN-UHFFFAOYSA-N
XLogP20.35
TPSA195.14 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.83
LogP ≤ 520.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine with MolForge

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Related Compounds

4-(4-Tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 158992022
2-N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1,2-diamine
CID 123581637
2-N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1,2-diamine
CID 144497023
2-tert-butyl-5-propan-2-ylpyridine;N-cyclopentyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;2-(1-piperidin-1-ylethyl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine
CID 157176506
5-tert-butyl-N,N-dimethylpyridin-2-amine;2,5-ditert-butylpyridine;methane;N-methyl-N-(1-methylpyrrolidin-3-yl)-5-propan-2-ylpyridin-2-amine;2-[methyl-(5-propan-2-yl-2-pyridinyl)amino]ethanol;2-(2-methylsulfonylpropan-2-yl)-5-propan-2-ylpyridine;N-[(3R)-oxolan-3-yl]-5-propan-2-ylpyridin-2-amine;4-[1-(5-propan-2-yl-2-pyridinyl)ethyl]morpholine;5-propan-2-yl-2-(1-pyrrolidin-1-ylethyl)pyridine;N,N,N'-trimethyl-N'-(5-propan-2-yl-2-pyridinyl)ethane-1,2-diamine
CID 161539940
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-inden-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[(2S)-2-ethylmorpholin-4-yl]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-[(2R)-2-ethylmorpholin-4-yl]-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 161768893

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine (CID 157134298) is 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine is C=C1CN(Cc2ccc(C(C)(C)C)cn2)CCN1.CC(C)(C)c1ccc(CNCCS(C)(=O)=O)nc1.CC(c1ccc(C(C)(C)C)cn1)N1CCOCC1.CCCN(C)c1cc(C(C)(C)C)ccn1.CN1Cc2ccc(C(C)(C)C)cc2C1.COC1CN(Cc2ccc(C(C)(C)C)cn2)C1.COCCN(C)Cc1ccc(C(C)(C)C)cn1.COCCN1Cc2ccc(C(C)(C)C)cc2C1.
What is the InChIKey of 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine?
The InChIKey is AJLCGQBULYODTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C15H24N2O.C15H23NO.C14H22N2O.C14H24N2O.C13H22N2O2S.C13H22N2.C13H19N/c1-12-10-18(8-7-16-12)11-14-6-5-13(9-17-14)15(2,3)4;1-12(17-7-9-18-10-8-17)14-6-5-13(11-16-14)15(2,3)4;1-15(2,3)14-6-5-12-10-16(7-8-17-4)11-13(12)9-14;1-14(2,3)11-5-6-12(15-7-11)8-16-9-13(10-16)17-4;1-14(2,3)12-6-7-13(15-10-12)11-16(4)8-9-17-5;1-13(2,3)11-5-6-12(15-9-11)10-14-7-8-18(4,16)17;1-6-9-15(5)12-10-11(7-8-14-12)13(2,3)4;1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12/h5-6,9,16H,1,7-8,10-11H2,2-4H3;5-6,11-12H,7-10H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;5-7,13H,8-10H2,1-4H3;6-7,10H,8-9,11H2,1-5H3;5-6,9,14H,7-8,10H2,1-4H3;7-8,10H,6,9H2,1-5H3;5-7H,8-9H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine?
5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine has a molecular weight of 1863.83 g/mol, XLogP of 20.35, 23 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 157134298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).