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

C12H21N — CID 91005853

IUPAC3,5-diethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1N=CC(CC)=CC1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMSKUGHACNZNKMZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds4

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

3,5-diethyl-2-propyl-2,3-dihydropyridine (PubChem CID 91005853) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-diethyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3,5-diethyl-2-propyl-2,3-dihydropyridine
PubChem CID91005853
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-diethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1N=CC(CC)=CC1CC
InChIInChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMSKUGHACNZNKMZ-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

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
CID 144096701
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of 3,5-diethyl-2-propyl-2,3-dihydropyridine (CID 91005853) is 3,5-diethyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 3,5-diethyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 3,5-diethyl-2-propyl-2,3-dihydropyridine is CCCC1N=CC(CC)=CC1CC.
What is the InChIKey of 3,5-diethyl-2-propyl-2,3-dihydropyridine?
The InChIKey is MSKUGHACNZNKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 3,5-diethyl-2-propyl-2,3-dihydropyridine?
3,5-diethyl-2-propyl-2,3-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-2,3-dihydropyridine is sourced from PubChem (CID 91005853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).