3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine

C59H126N8O2 — CID 157475877

IUPAC3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1.CN1CCC(C(C)(C)C)C1.CNCC(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C9H19N.2C8H14N2.2C7H11NO.C6H15N.7C2H6/c1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4;7*1-2/h8H,5-7H2,1-4H3;2*5-6H,1-4H3;2*4-5H,1-3H3;7H,5H2,1-4H3;7*1-2H3
InChIKeyBVOWURLEODCHEF-UHFFFAOYSA-N
MW979.71 g/mol
LogP17.80
Rot. Bonds1

About 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine

3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine (PubChem CID 157475877) has the molecular formula C59H126N8O2 and a molecular weight of 979.71 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine
PubChem CID157475877
Molecular FormulaC59H126N8O2
Molecular Weight979.71 g/mol
Exact Mass979.00
IUPAC Name3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1.CN1CCC(C(C)(C)C)C1.CNCC(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C9H19N.2C8H14N2.2C7H11NO.C6H15N.7C2H6/c1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4;7*1-2/h8H,5-7H2,1-4H3;2*5-6H,1-4H3;2*4-5H,1-3H3;7H,5H2,1-4H3;7*1-2H3
InChIKeyBVOWURLEODCHEF-UHFFFAOYSA-N
XLogP17.80
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.71
LogP ≤ 517.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine with MolForge

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Related Compounds

3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;N,2-dimethylpropan-1-amine;ethane
CID 157108310
1-cyclopropyl-3-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 157213949
tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
CID 158122769
4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
CID 160786993
5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole
CID 162220664
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 164989833

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine (CID 157475877) is 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1.CN1CCC(C(C)(C)C)C1.CNCC(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine?
The InChIKey is BVOWURLEODCHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C8H14N2.2C7H11NO.C6H15N.7C2H6/c1-9(2,3)8-5-6-10(4)7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4;7*1-2/h8H,5-7H2,1-4H3;2*5-6H,1-4H3;2*4-5H,1-3H3;7H,5H2,1-4H3;7*1-2H3.
What are the key properties of 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine?
3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine has a molecular weight of 979.71 g/mol, XLogP of 17.80, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;ethane;N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 157475877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).