2,3,4,5,6-pentamethyl-3,4-dihydropyridine

C10H17N — CID 72655828

IUPAC2,3,4,5,6-pentamethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(C)C1C
InChIInChI=1S/C10H17N/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7H,1-5H3
InChIKeyIAGCNTUJJNGFER-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds

About 2,3,4,5,6-pentamethyl-3,4-dihydropyridine

2,3,4,5,6-pentamethyl-3,4-dihydropyridine (PubChem CID 72655828) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-3,4-dihydropyridine
PubChem CID72655828
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,3,4,5,6-pentamethyl-3,4-dihydropyridine
SMILESCC1=NC(C)=C(C)C(C)C1C
InChIInChI=1S/C10H17N/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7H,1-5H3
InChIKeyIAGCNTUJJNGFER-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 23518376
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2,4,6-Trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 54427698
2,6-Dimethyl-4-propyl-3,4-dihydropyridine
CID 57200011
4-Ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 57269956
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2,3,3,4,4,5,6-Heptamethylpyridine
CID 58108493
2,3,5-tri(propan-2-yl)-3H-pyrrole
CID 58164588
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-3,4-dihydropyridine?
The IUPAC name of 2,3,4,5,6-pentamethyl-3,4-dihydropyridine (CID 72655828) is 2,3,4,5,6-pentamethyl-3,4-dihydropyridine.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-3,4-dihydropyridine?
The canonical SMILES for 2,3,4,5,6-pentamethyl-3,4-dihydropyridine is CC1=NC(C)=C(C)C(C)C1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-3,4-dihydropyridine?
The InChIKey is IAGCNTUJJNGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-3,4-dihydropyridine?
2,3,4,5,6-pentamethyl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-3,4-dihydropyridine is sourced from PubChem (CID 72655828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).