2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

C12H20N2 — CID 135135116

IUPAC2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NC(C)CC(CC2CCNC2)=C1
InChIInChI=1S/C12H20N2/c1-9-5-12(6-10(2)14-9)7-11-3-4-13-8-11/h5,10-11,13H,3-4,6-8H2,1-2H3
InChIKeySUKVKSIMIBSJKS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.17
Rot. Bonds2

About 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (PubChem CID 135135116) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
PubChem CID135135116
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NC(C)CC(CC2CCNC2)=C1
InChIInChI=1S/C12H20N2/c1-9-5-12(6-10(2)14-9)7-11-3-4-13-8-11/h5,10-11,13H,3-4,6-8H2,1-2H3
InChIKeySUKVKSIMIBSJKS-UHFFFAOYSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.17
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-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (CID 135135116) is 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is CC1=NC(C)CC(CC2CCNC2)=C1.
What is the InChIKey of 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The InChIKey is SUKVKSIMIBSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-12(6-10(2)14-9)7-11-3-4-13-8-11/h5,10-11,13H,3-4,6-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.17, 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-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 135135116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).