methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine

C102H173N11O3 — CID 157460138

IUPACmethane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
SMILESC.C.C.C.C.C.C.C.C.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)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/C11H16.3C10H15NO.C10H14.2C9H13N.3C8H12N2.9CH4/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;2*1-8(2)6-9-4-3-5-10-7-9;1-7(2)5-8-6-9-3-4-10-8;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;2*3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;9*1H4
InChIKeyBTVAEWARHLYBDY-UHFFFAOYSA-N
MW1601.58 g/mol
LogP26.39
Rot. Bonds20

About methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine

methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine (PubChem CID 157460138) has the molecular formula C102H173N11O3 and a molecular weight of 1601.58 g/mol. Its IUPAC name is methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Namemethane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
PubChem CID157460138
Molecular FormulaC102H173N11O3
Molecular Weight1601.58 g/mol
Exact Mass1600.37
IUPAC Namemethane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine
SMILESC.C.C.C.C.C.C.C.C.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)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/C11H16.3C10H15NO.C10H14.2C9H13N.3C8H12N2.9CH4/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;2*1-8(2)6-9-4-3-5-10-7-9;1-7(2)5-8-6-9-3-4-10-8;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;2*3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;9*1H4
InChIKeyBTVAEWARHLYBDY-UHFFFAOYSA-N
XLogP26.39
TPSA169.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.58
LogP ≤ 526.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine?
The IUPAC name of methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine (CID 157460138) is methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine?
The canonical SMILES for methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine is C.C.C.C.C.C.C.C.C.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)Cc1cccnc1.CC(C)Cc1cccnn1.CC(C)Cc1ccn(C)c(=O)c1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.
What is the InChIKey of methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine?
The InChIKey is BTVAEWARHLYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.3C10H15NO.C10H14.2C9H13N.3C8H12N2.9CH4/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;2*1-8(2)6-9-4-3-5-10-7-9;1-7(2)5-8-6-9-3-4-10-8;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;2*3-5,7-8H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;9*1H4.
What are the key properties of methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine?
methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine has a molecular weight of 1601.58 g/mol, XLogP of 26.39, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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;bis(3-(2-methylpropyl)pyridine);2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 157460138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).