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

C14H25N — CID 91242030

IUPAC5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
SMILESCCCC1C=C(C(C)CC)C(CC)=NC1
InChIInChI=1S/C14H25N/c1-5-8-12-9-13(11(4)6-2)14(7-3)15-10-12/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPZHUQGYQCIHKBB-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds5

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

5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine (PubChem CID 91242030) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
PubChem CID91242030
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
SMILESCCCC1C=C(C(C)CC)C(CC)=NC1
InChIInChI=1S/C14H25N/c1-5-8-12-9-13(11(4)6-2)14(7-3)15-10-12/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPZHUQGYQCIHKBB-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine?
The IUPAC name of 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine (CID 91242030) is 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine is CCCC1C=C(C(C)CC)C(CC)=NC1.
What is the InChIKey of 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine?
The InChIKey is PZHUQGYQCIHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-8-12-9-13(11(4)6-2)14(7-3)15-10-12/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine?
5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine is sourced from PubChem (CID 91242030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).