6-propyl-2,5-dihydropyridine

C8H13N — CID 142113155

IUPAC6-propyl-2,5-dihydropyridine
SMILESCCCC1=NCC=CC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4H,2,5-7H2,1H3
InChIKeyKBYUOBYJQXAYGR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 6-propyl-2,5-dihydropyridine

6-propyl-2,5-dihydropyridine (PubChem CID 142113155) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-propyl-2,5-dihydropyridine.

Molecular Properties

Compound Name6-propyl-2,5-dihydropyridine
PubChem CID142113155
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-propyl-2,5-dihydropyridine
SMILESCCCC1=NCC=CC1
InChIInChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4H,2,5-7H2,1H3
InChIKeyKBYUOBYJQXAYGR-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
6-Ethyl-2,3-dihydropyridine
CID 58693567
2-Butyl-6-fluoro-2,5-dihydropyridine
CID 12754568
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
6-Penta-1,3-dienyl-2,3,4,5-tetrahydropyridine
CID 198319
N-methylcyclohex-2-en-1-imine
CID 20718417
5-ethyl-2H-pyrrole
CID 20725724
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2,5-dihydropyridine?
The IUPAC name of 6-propyl-2,5-dihydropyridine (CID 142113155) is 6-propyl-2,5-dihydropyridine.
What is the SMILES notation for 6-propyl-2,5-dihydropyridine?
The canonical SMILES for 6-propyl-2,5-dihydropyridine is CCCC1=NCC=CC1.
What is the InChIKey of 6-propyl-2,5-dihydropyridine?
The InChIKey is KBYUOBYJQXAYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h3-4H,2,5-7H2,1H3.
What are the key properties of 6-propyl-2,5-dihydropyridine?
6-propyl-2,5-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2,5-dihydropyridine is sourced from PubChem (CID 142113155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).