butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine

C28H57N — CID 144524564

IUPACbutane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine
SMILESC.C=C(C)C(=C)C.CC.CCC(C)(C)C.CCCC.Cc1cnc(C)c(C)c1C
InChIInChI=1S/C9H13N.C6H14.C6H10.C4H10.C2H6.CH4/c1-6-5-10-9(4)8(3)7(6)2;1-5-6(2,3)4;1-5(2)6(3)4;1-3-4-2;1-2;/h5H,1-4H3;5H2,1-4H3;1,3H2,2,4H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyOFYBHXNRXRXYJD-UHFFFAOYSA-N
MW407.77 g/mol
LogP10.37
Rot. Bonds2

About butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine

butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine (PubChem CID 144524564) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine.

Molecular Properties

Compound Namebutane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine
PubChem CID144524564
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC Namebutane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine
SMILESC.C=C(C)C(=C)C.CC.CCC(C)(C)C.CCCC.Cc1cnc(C)c(C)c1C
InChIInChI=1S/C9H13N.C6H14.C6H10.C4H10.C2H6.CH4/c1-6-5-10-9(4)8(3)7(6)2;1-5-6(2,3)4;1-5(2)6(3)4;1-3-4-2;1-2;/h5H,1-4H3;5H2,1-4H3;1,3H2,2,4H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyOFYBHXNRXRXYJD-UHFFFAOYSA-N
XLogP10.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine?
The IUPAC name of butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine (CID 144524564) is butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine.
What is the SMILES notation for butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine?
The canonical SMILES for butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine is C.C=C(C)C(=C)C.CC.CCC(C)(C)C.CCCC.Cc1cnc(C)c(C)c1C.
What is the InChIKey of butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine?
The InChIKey is OFYBHXNRXRXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H14.C6H10.C4H10.C2H6.CH4/c1-6-5-10-9(4)8(3)7(6)2;1-5-6(2,3)4;1-5(2)6(3)4;1-3-4-2;1-2;/h5H,1-4H3;5H2,1-4H3;1,3H2,2,4H3;3-4H2,1-2H3;1-2H3;1H4.
What are the key properties of butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine?
butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine has a molecular weight of 407.77 g/mol, XLogP of 10.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,3-dimethylbuta-1,3-diene;2,2-dimethylbutane;ethane;methane;2,3,4,5-tetramethylpyridine is sourced from PubChem (CID 144524564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).