1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine

C10H18N2 — CID 68743958

IUPAC1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine
SMILESC1=CNCCC1.C1=NCCCC1
InChIInChI=1S/2C5H9N/c2*1-2-4-6-5-3-1/h4H,1-3,5H2;2,4,6H,1,3,5H2
InChIKeyXNKAZVFGZQHGDP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.12
Rot. Bonds

About 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine

1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine (PubChem CID 68743958) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine
PubChem CID68743958
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine
SMILESC1=CNCCC1.C1=NCCCC1
InChIInChI=1S/2C5H9N/c2*1-2-4-6-5-3-1/h4H,1-3,5H2;2,4,6H,1,3,5H2
InChIKeyXNKAZVFGZQHGDP-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine?
The IUPAC name of 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine (CID 68743958) is 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine?
The canonical SMILES for 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine is C1=CNCCC1.C1=NCCCC1.
What is the InChIKey of 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine?
The InChIKey is XNKAZVFGZQHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N/c2*1-2-4-6-5-3-1/h4H,1-3,5H2;2,4,6H,1,3,5H2.
What are the key properties of 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine?
1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridine;2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 68743958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).