1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine

C62H110N4O6 — CID 159882008

IUPAC1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)Oc1ccccc1.CC(C)c1ccco1.CCn1cc(C(C)C)c(C)n1.Cc1occc1C(C)C
InChIInChI=1S/C9H16N2.C9H12O.C8H12O.C8H16O.C7H15NO.C7H15N.C7H10O.C7H14O/c1-5-11-6-9(7(2)3)8(4)10-11;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(8)3;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-7-4-3-5-7/h6-7H,5H2,1-4H3;3-8H,1-2H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyNTQHZYZNXXHEIM-UHFFFAOYSA-N
MW1007.58 g/mol
LogP16.46
Rot. Bonds12

About 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine

1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine (PubChem CID 159882008) has the molecular formula C62H110N4O6 and a molecular weight of 1007.58 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine
PubChem CID159882008
Molecular FormulaC62H110N4O6
Molecular Weight1007.58 g/mol
Exact Mass1006.84
IUPAC Name1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)Oc1ccccc1.CC(C)c1ccco1.CCn1cc(C(C)C)c(C)n1.Cc1occc1C(C)C
InChIInChI=1S/C9H16N2.C9H12O.C8H12O.C8H16O.C7H15NO.C7H15N.C7H10O.C7H14O/c1-5-11-6-9(7(2)3)8(4)10-11;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(8)3;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-7-4-3-5-7/h6-7H,5H2,1-4H3;3-8H,1-2H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyNTQHZYZNXXHEIM-UHFFFAOYSA-N
XLogP16.46
TPSA87.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.58
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine (CID 159882008) is 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)Oc1ccccc1.CC(C)c1ccco1.CCn1cc(C(C)C)c(C)n1.Cc1occc1C(C)C.
What is the InChIKey of 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine?
The InChIKey is NTQHZYZNXXHEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H12O.C8H12O.C8H16O.C7H15NO.C7H15N.C7H10O.C7H14O/c1-5-11-6-9(7(2)3)8(4)10-11;1-8(2)10-9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(8)3;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-7-4-3-5-7/h6-7H,5H2,1-4H3;3-8H,1-2H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine?
1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine has a molecular weight of 1007.58 g/mol, XLogP of 16.46, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;2-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).