6-butan-2-yl-2,3,4,5-tetrahydropyridine

C9H17N — CID 134926218

IUPAC6-butan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCCC(C)C1=NCCCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-6-4-5-7-10-9/h8H,3-7H2,1-2H3
InChIKeyJHCFJTOYMWUVNP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds2

About 6-butan-2-yl-2,3,4,5-tetrahydropyridine

6-butan-2-yl-2,3,4,5-tetrahydropyridine (PubChem CID 134926218) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-butan-2-yl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-butan-2-yl-2,3,4,5-tetrahydropyridine
PubChem CID134926218
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-butan-2-yl-2,3,4,5-tetrahydropyridine
SMILESCCC(C)C1=NCCCC1
InChIInChI=1S/C9H17N/c1-3-8(2)9-6-4-5-7-10-9/h8H,3-7H2,1-2H3
InChIKeyJHCFJTOYMWUVNP-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-butan-2-yl-2,3,4,5-tetrahydropyridine (CID 134926218) is 6-butan-2-yl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-butan-2-yl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-butan-2-yl-2,3,4,5-tetrahydropyridine is CCC(C)C1=NCCCC1.
What is the InChIKey of 6-butan-2-yl-2,3,4,5-tetrahydropyridine?
The InChIKey is JHCFJTOYMWUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)9-6-4-5-7-10-9/h8H,3-7H2,1-2H3.
What are the key properties of 6-butan-2-yl-2,3,4,5-tetrahydropyridine?
6-butan-2-yl-2,3,4,5-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 134926218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).