2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine

C12H19N — CID 59887793

IUPAC2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(/C=C(\C)C(C)C)N=C1
InChIInChI=1S/C12H19N/c1-9(2)11(4)7-12-6-5-10(3)8-13-12/h5,7-9,12H,6H2,1-4H3/b11-7+
InChIKeyVRIHLSDLOUZEDZ-YRNVUSSQSA-N
MW177.29 g/mol
LogP3.38
Rot. Bonds2

About 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine

2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine (PubChem CID 59887793) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine
PubChem CID59887793
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine
SMILESCC1=CCC(/C=C(\C)C(C)C)N=C1
InChIInChI=1S/C12H19N/c1-9(2)11(4)7-12-6-5-10(3)8-13-12/h5,7-9,12H,6H2,1-4H3/b11-7+
InChIKeyVRIHLSDLOUZEDZ-YRNVUSSQSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis-propylideneaniline
CID 129791915
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 166924929
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3,5-Diethyl-2,5-dihydropyridine
CID 57046703

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine (CID 59887793) is 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine is CC1=CCC(/C=C(\C)C(C)C)N=C1.
What is the InChIKey of 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine?
The InChIKey is VRIHLSDLOUZEDZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)11(4)7-12-6-5-10(3)8-13-12/h5,7-9,12H,6H2,1-4H3/b11-7+.
What are the key properties of 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine?
2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 59887793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).