1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride

C25H42Cl2N2 — CID 172750361

IUPAC1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
SMILESCCCCCCCCCCCCCCN1C=CC(=C2C=CN(C)C=C2)C=C1.Cl.Cl
InChIInChI=1S/C25H40N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22-17-25(18-23-27)24-15-20-26(2)21-16-24;;/h15-18,20-23H,3-14,19H2,1-2H3;2*1H
InChIKeyKHBVYWDTRMZVDM-UHFFFAOYSA-N
MW441.53 g/mol
LogP8.14
Rot. Bonds13

About 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride

1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride (PubChem CID 172750361) has the molecular formula C25H42Cl2N2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
PubChem CID172750361
Molecular FormulaC25H42Cl2N2
Molecular Weight441.53 g/mol
Exact Mass440.27
IUPAC Name1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
SMILESCCCCCCCCCCCCCCN1C=CC(=C2C=CN(C)C=C2)C=C1.Cl.Cl
InChIInChI=1S/C25H40N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22-17-25(18-23-27)24-15-20-26(2)21-16-24;;/h15-18,20-23H,3-14,19H2,1-2H3;2*1H
InChIKeyKHBVYWDTRMZVDM-UHFFFAOYSA-N
XLogP8.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 58.14
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

1-butyl-4-[2,3,4,5,6-pentakis(1-butyl-4-pyridinylidene)cyclohexylidene]pyridine
CID 24774382
1-hexylazepine
CID 174889466
1-undecyl-4H-pyridine
CID 14921982
1-pentyl-4H-pyridine
CID 14921976
azane;1-dodecylazepine;nitroxyl
CID 174929490
1-butyl-4-inden-1-ylidenepyridine
CID 91539953
1-octadecyl-2-(1-octadecyl-2-pyridinylidene)pyridine
CID 139722365
icosane;tetrahydrochloride
CID 143212018
pentacosane;hydrochloride
CID 172714496
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
1-hexadecylpyrrole-2,5-dione
CID 4526314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride?
The IUPAC name of 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride (CID 172750361) is 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride?
The canonical SMILES for 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride is CCCCCCCCCCCCCCN1C=CC(=C2C=CN(C)C=C2)C=C1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride?
The InChIKey is KHBVYWDTRMZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22-17-25(18-23-27)24-15-20-26(2)21-16-24;;/h15-18,20-23H,3-14,19H2,1-2H3;2*1H.
What are the key properties of 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride?
1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride has a molecular weight of 441.53 g/mol, XLogP of 8.14, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride is sourced from PubChem (CID 172750361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).