5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine

C24H44N2 — CID 50941730

IUPAC5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1
InChIInChI=1S/C24H44N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h15-16H,3-14,17-22H2,1-2H3
InChIKeyIOUJUZLWHYIUKD-UHFFFAOYSA-N
MW360.63 g/mol
LogP6.19
Rot. Bonds13

About 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine

5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine (PubChem CID 50941730) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine
PubChem CID50941730
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1
InChIInChI=1S/C24H44N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h15-16H,3-14,17-22H2,1-2H3
InChIKeyIOUJUZLWHYIUKD-UHFFFAOYSA-N
XLogP6.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine (CID 50941730) is 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine is CC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1.
What is the InChIKey of 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine?
The InChIKey is IOUJUZLWHYIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-23-15-13-19-25(21-23)17-11-9-7-5-3-4-6-8-10-12-18-26-20-14-16-24(2)22-26/h15-16H,3-14,17-22H2,1-2H3.
What are the key properties of 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine?
5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine has a molecular weight of 360.63 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[12-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)dodecyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 50941730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).