2,5-dimethyl-3,4-dihydro-2H-pyridine

C7H11N — CID 163937045

IUPAC2,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=C=NC(C)CC1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h7H,3-4H2,1-2H3
InChIKeyRNSPHGNIUHDWOO-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.78
Rot. Bonds

About 2,5-dimethyl-3,4-dihydro-2H-pyridine

2,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 163937045) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID163937045
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1=C=NC(C)CC1
InChIInChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h7H,3-4H2,1-2H3
InChIKeyRNSPHGNIUHDWOO-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-2-methylbut-1-en-1-imine
CID 12951386
2-Azabicyclo[2.2.2]octa-2,3-diene
CID 88143387
2-ethyl-N-pentan-3-ylpent-1-en-1-imine
CID 123829792

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-pyridine (CID 163937045) is 2,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 2,5-dimethyl-3,4-dihydro-2H-pyridine is CC1=C=NC(C)CC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is RNSPHGNIUHDWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-7(2)8-5-6/h7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydro-2H-pyridine?
2,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 163937045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).