6-butyl-2,3,4,5-tetrahydropyridine

C9H17N — CID 566327

IUPAC6-butyl-2,3,4,5-tetrahydropyridine
SMILESCCCCC1=NCCCC1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-8H2,1H3
InChIKeyMRDSIKWOSNLBFX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.80
Rot. Bonds3

About 6-butyl-2,3,4,5-tetrahydropyridine

6-butyl-2,3,4,5-tetrahydropyridine (PubChem CID 566327) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-butyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-butyl-2,3,4,5-tetrahydropyridine
PubChem CID566327
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-butyl-2,3,4,5-tetrahydropyridine
SMILESCCCCC1=NCCCC1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-8H2,1H3
InChIKeyMRDSIKWOSNLBFX-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-Tetrahydro-6-propylpyridine
CID 442632
2H-Azepine, 7-ethyl-3,4,5,6-tetrahydro-
CID 11970279
Pyridine, 2,3,4,5-tetrahydro-6-methyl-
CID 641107
N1,N6-Bis(1-methylpropylidene)-1,6-hexanediamine
CID 37568
2-Methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine
CID 70698157
Koreenceine B
CID 137957808
6-Methyl-2-undecyl-2,3,4,5-tetrahydropyridine
CID 182226
2H-Azepine, 3,4,5,6-tetrahydro-7-propyl-
CID 574040
Pyridine, 2-ethyl-3,4,5,6-tetrahydro-
CID 3014008
Cyclohexanamine, N-(1-ethylpropylidene)-
CID 80209
6-Propyl-2,3,4,5-tetrahydropyridin-1-ium
CID 25203721
6-Hexadecyl-2,3,4,5-tetrahydropyridine
CID 54669809

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-butyl-2,3,4,5-tetrahydropyridine (CID 566327) is 6-butyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-butyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-butyl-2,3,4,5-tetrahydropyridine is CCCCC1=NCCCC1.
What is the InChIKey of 6-butyl-2,3,4,5-tetrahydropyridine?
The InChIKey is MRDSIKWOSNLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-8H2,1H3.
What are the key properties of 6-butyl-2,3,4,5-tetrahydropyridine?
6-butyl-2,3,4,5-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 566327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).