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

C12H21N — CID 57118688

IUPAC3,5-diethyl-2-propyl-2,5-dihydropyridine
SMILESCCCC1N=CC(CC)C=C1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-10,12H,4-7H2,1-3H3
InChIKeyHTRAKOWTBCHWPJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds4

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

3,5-diethyl-2-propyl-2,5-dihydropyridine (PubChem CID 57118688) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-diethyl-2-propyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3,5-diethyl-2-propyl-2,5-dihydropyridine
PubChem CID57118688
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-diethyl-2-propyl-2,5-dihydropyridine
SMILESCCCC1N=CC(CC)C=C1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-10,12H,4-7H2,1-3H3
InChIKeyHTRAKOWTBCHWPJ-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
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

(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
CID 57216431
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
2-[(E)-2,3-dimethylbut-1-enyl]-2,3-dihydropyridine
CID 59887789
2-[(E)-2,3-dimethylbut-1-enyl]-5-methyl-2,3-dihydropyridine
CID 59887793
2-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2,3-dihydropyridine
CID 59887795
(3S)-2,3,4-trimethyl-2,3-dihydropyridine
CID 68030579

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-propyl-2,5-dihydropyridine?
The IUPAC name of 3,5-diethyl-2-propyl-2,5-dihydropyridine (CID 57118688) is 3,5-diethyl-2-propyl-2,5-dihydropyridine.
What is the SMILES notation for 3,5-diethyl-2-propyl-2,5-dihydropyridine?
The canonical SMILES for 3,5-diethyl-2-propyl-2,5-dihydropyridine is CCCC1N=CC(CC)C=C1CC.
What is the InChIKey of 3,5-diethyl-2-propyl-2,5-dihydropyridine?
The InChIKey is HTRAKOWTBCHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3,5-diethyl-2-propyl-2,5-dihydropyridine?
3,5-diethyl-2-propyl-2,5-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-propyl-2,5-dihydropyridine is sourced from PubChem (CID 57118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).