3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine

C108H160N16O3 — CID 162085820

IUPAC3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccn(C)c1=O.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1
InChIInChI=1S/C11H16.3C10H15NO.C10H14.C9H13N.6C8H12N2/c1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)7-9-5-4-6-11(3)10(9)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8/h4-10H,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyZCYDAUKNLWJSBW-UHFFFAOYSA-N
MW1730.58 g/mol
LogP23.41
Rot. Bonds24

About 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine

3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine (PubChem CID 162085820) has the molecular formula C108H160N16O3 and a molecular weight of 1730.58 g/mol. Its IUPAC name is 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine
PubChem CID162085820
Molecular FormulaC108H160N16O3
Molecular Weight1730.58 g/mol
Exact Mass1729.29
IUPAC Name3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccn(C)c1=O.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1
InChIInChI=1S/C11H16.3C10H15NO.C10H14.C9H13N.6C8H12N2/c1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)7-9-5-4-6-11(3)10(9)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8/h4-10H,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyZCYDAUKNLWJSBW-UHFFFAOYSA-N
XLogP23.41
TPSA233.57 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.58
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine?
The IUPAC name of 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine (CID 162085820) is 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine?
The canonical SMILES for 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine is CC(C)C(C)c1ccccc1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccn(C)c1=O.CC(C)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1ccncn1.CC(C)Cc1ccnnc1.CC(C)Cc1cnccn1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1.
What is the InChIKey of 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine?
The InChIKey is ZCYDAUKNLWJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.3C10H15NO.C10H14.C9H13N.6C8H12N2/c1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)7-9-5-4-6-11(3)10(9)12;1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)5-8-3-4-9-10-6-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-10-8/h4-10H,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3.
What are the key properties of 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine?
3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine has a molecular weight of 1730.58 g/mol, XLogP of 23.41, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyridin-2-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methylpropylbenzene;2-(2-methylpropyl)pyrazine;3-(2-methylpropyl)pyridazine;4-(2-methylpropyl)pyridazine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 162085820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).