6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine

C11H19N — CID 123617444

IUPAC6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
SMILESCCC1=C(C)CCC(C(C)C)=N1
InChIInChI=1S/C11H19N/c1-5-10-9(4)6-7-11(12-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyFSOJSUGXKMJQEG-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds2

About 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine

6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 123617444) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
PubChem CID123617444
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
SMILESCCC1=C(C)CCC(C(C)C)=N1
InChIInChI=1S/C11H19N/c1-5-10-9(4)6-7-11(12-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyFSOJSUGXKMJQEG-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-5-propan-2-yl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 123153350
5-Tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 143994943
N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
2,6-Dimethyl-4-propyl-3,4-dihydropyridine
CID 57200011
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
CID 58032103
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
2,6-Di(propan-2-yl)-3,4,7,8-tetrahydropyrrolo[2,3-f]indole
CID 58315943
2,6-Di(propan-2-yl)-3,4,5,8-tetrahydropyrrolo[3,2-f]indole
CID 58315955
2-(2,4-Dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
CID 58746480
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine (CID 123617444) is 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine is CCC1=C(C)CCC(C(C)C)=N1.
What is the InChIKey of 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is FSOJSUGXKMJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10-9(4)6-7-11(12-10)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine?
6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 123617444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).