1,5,6-trimethyl-3,4-dihydro-2H-pyridine

C8H15N — CID 2775629

IUPAC1,5,6-trimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=C(C)N(C)CCC1
InChIInChI=1S/C8H15N/c1-7-5-4-6-9(3)8(7)2/h4-6H2,1-3H3
InChIKeyNBYIBMAPRBKANF-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.01
Rot. Bonds

About 1,5,6-trimethyl-3,4-dihydro-2H-pyridine

1,5,6-trimethyl-3,4-dihydro-2H-pyridine (PubChem CID 2775629) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,5,6-trimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,5,6-trimethyl-3,4-dihydro-2H-pyridine
PubChem CID2775629
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,5,6-trimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=C(C)N(C)CCC1
InChIInChI=1S/C8H15N/c1-7-5-4-6-9(3)8(7)2/h4-6H2,1-3H3
InChIKeyNBYIBMAPRBKANF-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,5,6-trimethyl-3,4-dihydro-2H-pyridine (CID 2775629) is 1,5,6-trimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,5,6-trimethyl-3,4-dihydro-2H-pyridine is CC1=C(C)N(C)CCC1.
What is the InChIKey of 1,5,6-trimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is NBYIBMAPRBKANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-4-6-9(3)8(7)2/h4-6H2,1-3H3.
What are the key properties of 1,5,6-trimethyl-3,4-dihydro-2H-pyridine?
1,5,6-trimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 2775629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).