4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane

C9H19N — CID 91163088

IUPAC4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane
SMILESCC.CC1=C(C)CNCC1
InChIInChI=1S/C7H13N.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyMLHWACDWDWUMCN-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds

About 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane

4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane (PubChem CID 91163088) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane
PubChem CID91163088
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane
SMILESCC.CC1=C(C)CNCC1
InChIInChI=1S/C7H13N.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyMLHWACDWDWUMCN-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane?
The IUPAC name of 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane (CID 91163088) is 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane.
What is the SMILES notation for 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane?
The canonical SMILES for 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane is CC.CC1=C(C)CNCC1.
What is the InChIKey of 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane?
The InChIKey is MLHWACDWDWUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-6-3-4-8-5-7(6)2;1-2/h8H,3-5H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane?
4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane has a molecular weight of 141.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2,3,6-tetrahydropyridine;ethane is sourced from PubChem (CID 91163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).