aniline;2,3-dimethylbut-2-ene;ethane;pyridine

C23H42N2 — CID 123663705

IUPACaniline;2,3-dimethylbut-2-ene;ethane;pyridine
SMILESCC.CC.CC.CC(C)=C(C)C.Nc1ccccc1.c1ccncc1
InChIInChI=1S/C6H7N.C6H12.C5H5N.3C2H6/c7-6-4-2-1-3-5-6;1-5(2)6(3)4;1-2-4-6-5-3-1;3*1-2/h1-5H,7H2;1-4H3;1-5H;3*1-2H3
InChIKeyGGRRUZMRMBVJSH-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.79
Rot. Bonds

About aniline;2,3-dimethylbut-2-ene;ethane;pyridine

aniline;2,3-dimethylbut-2-ene;ethane;pyridine (PubChem CID 123663705) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is aniline;2,3-dimethylbut-2-ene;ethane;pyridine.

Molecular Properties

Compound Nameaniline;2,3-dimethylbut-2-ene;ethane;pyridine
PubChem CID123663705
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Nameaniline;2,3-dimethylbut-2-ene;ethane;pyridine
SMILESCC.CC.CC.CC(C)=C(C)C.Nc1ccccc1.c1ccncc1
InChIInChI=1S/C6H7N.C6H12.C5H5N.3C2H6/c7-6-4-2-1-3-5-6;1-5(2)6(3)4;1-2-4-6-5-3-1;3*1-2/h1-5H,7H2;1-4H3;1-5H;3*1-2H3
InChIKeyGGRRUZMRMBVJSH-UHFFFAOYSA-N
XLogP7.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123908407
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Frequently Asked Questions

What is the IUPAC name of aniline;2,3-dimethylbut-2-ene;ethane;pyridine?
The IUPAC name of aniline;2,3-dimethylbut-2-ene;ethane;pyridine (CID 123663705) is aniline;2,3-dimethylbut-2-ene;ethane;pyridine.
What is the SMILES notation for aniline;2,3-dimethylbut-2-ene;ethane;pyridine?
The canonical SMILES for aniline;2,3-dimethylbut-2-ene;ethane;pyridine is CC.CC.CC.CC(C)=C(C)C.Nc1ccccc1.c1ccncc1.
What is the InChIKey of aniline;2,3-dimethylbut-2-ene;ethane;pyridine?
The InChIKey is GGRRUZMRMBVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H12.C5H5N.3C2H6/c7-6-4-2-1-3-5-6;1-5(2)6(3)4;1-2-4-6-5-3-1;3*1-2/h1-5H,7H2;1-4H3;1-5H;3*1-2H3.
What are the key properties of aniline;2,3-dimethylbut-2-ene;ethane;pyridine?
aniline;2,3-dimethylbut-2-ene;ethane;pyridine has a molecular weight of 346.60 g/mol, XLogP of 7.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2,3-dimethylbut-2-ene;ethane;pyridine is sourced from PubChem (CID 123663705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).