2,5,6-trimethyl-1,2,3,4-tetrahydropyridine

C8H15N — CID 70464332

IUPAC2,5,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NC(C)CC1
InChIInChI=1S/C8H15N/c1-6-4-5-7(2)9-8(6)3/h7,9H,4-5H2,1-3H3
InChIKeySVGHXCBMGVPROL-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.05
Rot. Bonds

About 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine

2,5,6-trimethyl-1,2,3,4-tetrahydropyridine (PubChem CID 70464332) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2,5,6-trimethyl-1,2,3,4-tetrahydropyridine
PubChem CID70464332
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,5,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NC(C)CC1
InChIInChI=1S/C8H15N/c1-6-4-5-7(2)9-8(6)3/h7,9H,4-5H2,1-3H3
InChIKeySVGHXCBMGVPROL-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine (CID 70464332) is 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine is CC1=C(C)NC(C)CC1.
What is the InChIKey of 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is SVGHXCBMGVPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-5-7(2)9-8(6)3/h7,9H,4-5H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
2,5,6-trimethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 70464332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).