3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine

C12H21N — CID 163883744

IUPAC3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCCC1CN=C(C(C)C)C(C)=C1C
InChIInChI=1S/C12H21N/c1-6-11-7-13-12(8(2)3)10(5)9(11)4/h8,11H,6-7H2,1-5H3
InChIKeyPVNYOIHXQLIKAO-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds2

About 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine

3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine (PubChem CID 163883744) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine
PubChem CID163883744
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCCC1CN=C(C(C)C)C(C)=C1C
InChIInChI=1S/C12H21N/c1-6-11-7-13-12(8(2)3)10(5)9(11)4/h8,11H,6-7H2,1-5H3
InChIKeyPVNYOIHXQLIKAO-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

7-ethyl-5-fluoro-3-methyl-6-propan-2-yl-3,4-dihydro-2H-azepine
CID 123951611
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine
CID 60123253
(2R,3R)-2,3,4,5,6-pentamethyl-2,3-dihydropyridine;yttrium
CID 60123256
2,3,4,5,6-Pentamethyl-2,3-dihydropyridine
CID 72655827
N,4-dimethyl-3-propan-2-ylpent-3-en-2-imine
CID 88869346
2,3,4-trimethyl-5-propan-2-yl-2H-pyrrole
CID 89517655
6-(3-Methylbutan-2-yl)-2,3-dihydropyridine
CID 91073798
7-ethyl-4,5-dimethyl-3,4-dihydro-2H-azepine
CID 91167971
3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
CID 91186555
5-Butan-2-yl-6-ethyl-3-propyl-2,3-dihydropyridine
CID 91242030

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine (CID 163883744) is 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine is CCC1CN=C(C(C)C)C(C)=C1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine?
The InChIKey is PVNYOIHXQLIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11-7-13-12(8(2)3)10(5)9(11)4/h8,11H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine?
3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-6-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 163883744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).