2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine

C13H22N2 — CID 135135288

IUPAC2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine
SMILESCC1=CC(CC2CCN(C)C2)=CC(C)N1
InChIInChI=1S/C13H22N2/c1-10-6-13(7-11(2)14-10)8-12-4-5-15(3)9-12/h6-7,10,12,14H,4-5,8-9H2,1-3H3
InChIKeyAPZXVHDMJFUUOB-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.15
Rot. Bonds2

About 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine

2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine (PubChem CID 135135288) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine
PubChem CID135135288
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine
SMILESCC1=CC(CC2CCN(C)C2)=CC(C)N1
InChIInChI=1S/C13H22N2/c1-10-6-13(7-11(2)14-10)8-12-4-5-15(3)9-12/h6-7,10,12,14H,4-5,8-9H2,1-3H3
InChIKeyAPZXVHDMJFUUOB-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine (CID 135135288) is 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine is CC1=CC(CC2CCN(C)C2)=CC(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine?
The InChIKey is APZXVHDMJFUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-6-13(7-11(2)14-10)8-12-4-5-15(3)9-12/h6-7,10,12,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine?
2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine has a molecular weight of 206.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1-methylpyrrolidin-3-yl)methyl]-1,2-dihydropyridine is sourced from PubChem (CID 135135288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).