2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine

C20H32N2 — CID 67427102

IUPAC2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
SMILESCCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3
InChIKeyRDXBENMLHQRQDZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.54
Rot. Bonds10

About 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine

2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine (PubChem CID 67427102) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
PubChem CID67427102
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
SMILESCCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3
InChIKeyRDXBENMLHQRQDZ-UHFFFAOYSA-N
XLogP5.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
3,5-Dibutyl-2-pentyl-2,3-dihydropyridine
CID 85526515
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The IUPAC name of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine (CID 67427102) is 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine.
What is the SMILES notation for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The canonical SMILES for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine is CCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1.
What is the InChIKey of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The InChIKey is RDXBENMLHQRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3.
What are the key properties of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine has a molecular weight of 300.49 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine is sourced from PubChem (CID 67427102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).