buta-1,3-diene;2,3-dimethylpyridine;ethane

C15H27N — CID 145249818

IUPACbuta-1,3-diene;2,3-dimethylpyridine;ethane
SMILESC=CC=C.CC.CC.Cc1cccnc1C
InChIInChI=1S/C7H9N.C4H6.2C2H6/c1-6-4-3-5-8-7(6)2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H,1-2H2;2*1-2H3
InChIKeyQNFTXUCZIDWJHO-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.11
Rot. Bonds1

About buta-1,3-diene;2,3-dimethylpyridine;ethane

buta-1,3-diene;2,3-dimethylpyridine;ethane (PubChem CID 145249818) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is buta-1,3-diene;2,3-dimethylpyridine;ethane.

Molecular Properties

Compound Namebuta-1,3-diene;2,3-dimethylpyridine;ethane
PubChem CID145249818
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Namebuta-1,3-diene;2,3-dimethylpyridine;ethane
SMILESC=CC=C.CC.CC.Cc1cccnc1C
InChIInChI=1S/C7H9N.C4H6.2C2H6/c1-6-4-3-5-8-7(6)2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H,1-2H2;2*1-2H3
InChIKeyQNFTXUCZIDWJHO-UHFFFAOYSA-N
XLogP5.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylpyridine;1,4-xylene
CID 174745079
2,3-dimethylpyridine;formamide;hydrate
CID 175110807
3-methyl-2-prop-2-enylpyridine
CID 18185591
2-bromo-3-methylpyridine;ethane
CID 143610978
3-chloro-2-methylpyridine;formaldehyde
CID 175449044
2-(2-ethenyl-6-methylphenyl)-3-methylpyridine
CID 68936277
ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
CID 165410147
1,3-dichloro-2-methylbenzene;bis(2,3-dimethylpyridine);1-fluoro-2-methylbenzene
CID 158361621
3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine
CID 167164381
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 137218431
3-tert-butyl-2-methylpyridine;ethane
CID 90980079

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;2,3-dimethylpyridine;ethane?
The IUPAC name of buta-1,3-diene;2,3-dimethylpyridine;ethane (CID 145249818) is buta-1,3-diene;2,3-dimethylpyridine;ethane.
What is the SMILES notation for buta-1,3-diene;2,3-dimethylpyridine;ethane?
The canonical SMILES for buta-1,3-diene;2,3-dimethylpyridine;ethane is C=CC=C.CC.CC.Cc1cccnc1C.
What is the InChIKey of buta-1,3-diene;2,3-dimethylpyridine;ethane?
The InChIKey is QNFTXUCZIDWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H6.2C2H6/c1-6-4-3-5-8-7(6)2;1-3-4-2;2*1-2/h3-5H,1-2H3;3-4H,1-2H2;2*1-2H3.
What are the key properties of buta-1,3-diene;2,3-dimethylpyridine;ethane?
buta-1,3-diene;2,3-dimethylpyridine;ethane has a molecular weight of 221.39 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2,3-dimethylpyridine;ethane is sourced from PubChem (CID 145249818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).