3,5-diethyl-2-propyl-1,2-dihydropyridine

C12H21N — CID 21477926

IUPAC3,5-diethyl-2-propyl-1,2-dihydropyridine
SMILESCCCC1NC=C(CC)C=C1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,12-13H,4-7H2,1-3H3
InChIKeyPJNHPCMGEVJGFD-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.39
Rot. Bonds4

About 3,5-diethyl-2-propyl-1,2-dihydropyridine

3,5-diethyl-2-propyl-1,2-dihydropyridine (PubChem CID 21477926) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-diethyl-2-propyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3,5-diethyl-2-propyl-1,2-dihydropyridine
PubChem CID21477926
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-diethyl-2-propyl-1,2-dihydropyridine
SMILESCCCC1NC=C(CC)C=C1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,12-13H,4-7H2,1-3H3
InChIKeyPJNHPCMGEVJGFD-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-propyl-1,2-dihydropyridine?
The IUPAC name of 3,5-diethyl-2-propyl-1,2-dihydropyridine (CID 21477926) is 3,5-diethyl-2-propyl-1,2-dihydropyridine.
What is the SMILES notation for 3,5-diethyl-2-propyl-1,2-dihydropyridine?
The canonical SMILES for 3,5-diethyl-2-propyl-1,2-dihydropyridine is CCCC1NC=C(CC)C=C1CC.
What is the InChIKey of 3,5-diethyl-2-propyl-1,2-dihydropyridine?
The InChIKey is PJNHPCMGEVJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 3,5-diethyl-2-propyl-1,2-dihydropyridine?
3,5-diethyl-2-propyl-1,2-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-propyl-1,2-dihydropyridine is sourced from PubChem (CID 21477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).