2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine

C13H18N2 — CID 169114810

IUPAC2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine
SMILESCc1cc(C2=NC[C@@H](C)CC2)cnc1C
InChIInChI=1S/C13H18N2/c1-9-4-5-13(15-7-9)12-6-10(2)11(3)14-8-12/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeySSYYQJNJWBSYIE-VIFPVBQESA-N
MW202.30 g/mol
LogP2.92
Rot. Bonds1

About 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine

2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine (PubChem CID 169114810) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine
PubChem CID169114810
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine
SMILESCc1cc(C2=NC[C@@H](C)CC2)cnc1C
InChIInChI=1S/C13H18N2/c1-9-4-5-13(15-7-9)12-6-10(2)11(3)14-8-12/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1
InChIKeySSYYQJNJWBSYIE-VIFPVBQESA-N
XLogP2.92
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The IUPAC name of 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine (CID 169114810) is 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine.
What is the SMILES notation for 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The canonical SMILES for 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine is Cc1cc(C2=NC[C@@H](C)CC2)cnc1C.
What is the InChIKey of 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
The InChIKey is SSYYQJNJWBSYIE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2/c1-9-4-5-13(15-7-9)12-6-10(2)11(3)14-8-12/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine?
2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine has a molecular weight of 202.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]pyridine is sourced from PubChem (CID 169114810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).