tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine

C109H195N13O6 — CID 160996722

IUPACtert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)c1ccc(CN(C)C)cc1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C14H23N3.C12H24N2O2.C12H19N.2C11H16O.C10H14.C9H20N2.C8H14N2.C8H17N.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2,3)7-5-9-10(4)6-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;9H,4-8H2,1-3H3;5-6H,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3
InChIKeyTVIPHZATRUGBDL-UHFFFAOYSA-N
MW1783.84 g/mol
LogP21.96
Rot. Bonds20

About tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine

tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine (PubChem CID 160996722) has the molecular formula C109H195N13O6 and a molecular weight of 1783.84 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine
PubChem CID160996722
Molecular FormulaC109H195N13O6
Molecular Weight1783.84 g/mol
Exact Mass1782.54
IUPAC Nametert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)c1ccc(CN(C)C)cc1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C14H23N3.C12H24N2O2.C12H19N.2C11H16O.C10H14.C9H20N2.C8H14N2.C8H17N.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2,3)7-5-9-10(4)6-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;9H,4-8H2,1-3H3;5-6H,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3
InChIKeyTVIPHZATRUGBDL-UHFFFAOYSA-N
XLogP21.96
TPSA126.33 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.84
LogP ≤ 521.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 159169285
tert-butylbenzene;4-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-N,N-dimethylmethanamine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;[(1R)-1-propan-2-yloxyethyl]benzene;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine
CID 160500821

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine?
The IUPAC name of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine (CID 160996722) is tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine is CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCOCC1.CC(C)OC(C)c1ccccc1.CC(C)OCCN(C)C.CC(C)OCCc1ccccc1.CC(C)c1ccc(CN(C)C)cc1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine?
The InChIKey is TVIPHZATRUGBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C12H24N2O2.C12H19N.2C11H16O.C10H14.C9H20N2.C8H14N2.C8H17N.C7H15NO.C7H17NO/c1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2)11-6-4-5-10(3)7-8-11;1-8(2,3)7-5-9-10(4)6-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-6-5-8(3)4/h4-6,11H,7-10,12H2,1-3H3;10H,6-9H2,1-5H3;5-8,10H,9H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;4-8H,1-3H3;9H,4-8H2,1-3H3;5-6H,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine?
tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine has a molecular weight of 1783.84 g/mol, XLogP of 21.96, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-1-methylpyrazole;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;N,N-dimethyl-2-propan-2-yloxyethanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-yloxyethylbenzene;2-propan-2-yloxyethylbenzene;1-propan-2-ylpiperidine is sourced from PubChem (CID 160996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).