6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine

C12H21N — CID 123847631

IUPAC6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine
SMILESCCC1=CC(C)CN=C1C(C)CC
InChIInChI=1S/C12H21N/c1-5-10(4)12-11(6-2)7-9(3)8-13-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyONIIZESMRMZRJA-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds3

About 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine

6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine (PubChem CID 123847631) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine
PubChem CID123847631
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine
SMILESCCC1=CC(C)CN=C1C(C)CC
InChIInChI=1S/C12H21N/c1-5-10(4)12-11(6-2)7-9(3)8-13-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyONIIZESMRMZRJA-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
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3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine?
The IUPAC name of 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine (CID 123847631) is 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine is CCC1=CC(C)CN=C1C(C)CC.
What is the InChIKey of 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine?
The InChIKey is ONIIZESMRMZRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10(4)12-11(6-2)7-9(3)8-13-12/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine?
6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 123847631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).