1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane

C76H151N7O8 — CID 159009776

IUPAC1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane
SMILESC.C.CC(C)CC(N)=O.CC(C)CC1(C)CCCO1.CC(C)CC1CCOCC1.CC(C)CCCN1CCCC1=O.CC(C)CCN1CCNC1=O.CC(C)C[C@@H]1CCCO1.CC(C)C[C@H]1CCCO1.Cc1cc(CC(C)C)nn1C.Cc1cc(CC(C)C)no1
InChIInChI=1S/C10H19NO.C9H16N2.2C9H18O.C8H16N2O.C8H13NO.2C8H16O.C5H11NO.2CH4/c1-9(2)5-3-7-11-8-4-6-10(11)12;1-7(2)5-9-6-8(3)11(4)10-9;1-8(2)7-9(3)5-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)3-5-10-6-4-9-8(10)11;1-6(2)4-8-5-7(3)10-9-8;2*1-7(2)6-8-4-3-5-9-8;1-4(2)3-5(6)7;;/h9H,3-8H2,1-2H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,11);5-6H,4H2,1-3H3;2*7-8H,3-6H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);2*1H4/t;;;;;;2*8-;;;/m......10.../s1
InChIKeyJSILATAEESWWCF-LJVGDYIHSA-N
MW1291.08 g/mol
LogP18.48
Rot. Bonds21

About 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane

1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane (PubChem CID 159009776) has the molecular formula C76H151N7O8 and a molecular weight of 1291.08 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane
PubChem CID159009776
Molecular FormulaC76H151N7O8
Molecular Weight1291.08 g/mol
Exact Mass1290.16
IUPAC Name1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane
SMILESC.C.CC(C)CC(N)=O.CC(C)CC1(C)CCCO1.CC(C)CC1CCOCC1.CC(C)CCCN1CCCC1=O.CC(C)CCN1CCNC1=O.CC(C)C[C@@H]1CCCO1.CC(C)C[C@H]1CCCO1.Cc1cc(CC(C)C)nn1C.Cc1cc(CC(C)C)no1
InChIInChI=1S/C10H19NO.C9H16N2.2C9H18O.C8H16N2O.C8H13NO.2C8H16O.C5H11NO.2CH4/c1-9(2)5-3-7-11-8-4-6-10(11)12;1-7(2)5-9-6-8(3)11(4)10-9;1-8(2)7-9(3)5-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)3-5-10-6-4-9-8(10)11;1-6(2)4-8-5-7(3)10-9-8;2*1-7(2)6-8-4-3-5-9-8;1-4(2)3-5(6)7;;/h9H,3-8H2,1-2H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,11);5-6H,4H2,1-3H3;2*7-8H,3-6H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);2*1H4/t;;;;;;2*8-;;;/m......10.../s1
InChIKeyJSILATAEESWWCF-LJVGDYIHSA-N
XLogP18.48
TPSA176.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.08
LogP ≤ 518.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane with MolForge

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Related Compounds

1,5-dimethyl-3-(2-methylpropyl)pyrazole;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane
CID 161086788

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane?
The IUPAC name of 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane (CID 159009776) is 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane?
The canonical SMILES for 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane is C.C.CC(C)CC(N)=O.CC(C)CC1(C)CCCO1.CC(C)CC1CCOCC1.CC(C)CCCN1CCCC1=O.CC(C)CCN1CCNC1=O.CC(C)C[C@@H]1CCCO1.CC(C)C[C@H]1CCCO1.Cc1cc(CC(C)C)nn1C.Cc1cc(CC(C)C)no1.
What is the InChIKey of 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane?
The InChIKey is JSILATAEESWWCF-LJVGDYIHSA-N. The full InChI is InChI=1S/C10H19NO.C9H16N2.2C9H18O.C8H16N2O.C8H13NO.2C8H16O.C5H11NO.2CH4/c1-9(2)5-3-7-11-8-4-6-10(11)12;1-7(2)5-9-6-8(3)11(4)10-9;1-8(2)7-9(3)5-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-7(2)3-5-10-6-4-9-8(10)11;1-6(2)4-8-5-7(3)10-9-8;2*1-7(2)6-8-4-3-5-9-8;1-4(2)3-5(6)7;;/h9H,3-8H2,1-2H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,11);5-6H,4H2,1-3H3;2*7-8H,3-6H2,1-2H3;4H,3H2,1-2H3,(H2,6,7);2*1H4/t;;;;;;2*8-;;;/m......10.../s1.
What are the key properties of 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane?
1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane has a molecular weight of 1291.08 g/mol, XLogP of 18.48, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylpropyl)pyrazole;methane;3-methylbutanamide;1-(3-methylbutyl)imidazolidin-2-one;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-2-(2-methylpropyl)oxolane;1-(4-methylpentyl)pyrrolidin-2-one;4-(2-methylpropyl)oxane;(2S)-2-(2-methylpropyl)oxolane;(2R)-2-(2-methylpropyl)oxolane is sourced from PubChem (CID 159009776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).