4-(3-tetradecylheptadecyl)pyridine

C36H67N — CID 90972273

IUPAC4-(3-tetradecylheptadecyl)pyridine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CCc1ccncc1
InChIInChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(29-30-36-31-33-37-34-32-36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-35H,3-30H2,1-2H3
InChIKeyXQKSAYHFMFXKLH-UHFFFAOYSA-N
MW513.94 g/mol
LogP12.81
Rot. Bonds29

About 4-(3-tetradecylheptadecyl)pyridine

4-(3-tetradecylheptadecyl)pyridine (PubChem CID 90972273) has the molecular formula C36H67N and a molecular weight of 513.94 g/mol. Its IUPAC name is 4-(3-tetradecylheptadecyl)pyridine.

Molecular Properties

Compound Name4-(3-tetradecylheptadecyl)pyridine
PubChem CID90972273
Molecular FormulaC36H67N
Molecular Weight513.94 g/mol
Exact Mass513.53
IUPAC Name4-(3-tetradecylheptadecyl)pyridine
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CCc1ccncc1
InChIInChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(29-30-36-31-33-37-34-32-36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-35H,3-30H2,1-2H3
InChIKeyXQKSAYHFMFXKLH-UHFFFAOYSA-N
XLogP12.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.94
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-heptyldodecyl)phenol
CID 118876079
3-ethylundecylbenzene
CID 101046196
1-(6-ethyloctyl)-4-octylbenzene
CID 142518839
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
4-nonadec-10-enylpyridine
CID 71356376
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentyltricosane
CID 90879409
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423

Frequently Asked Questions

What is the IUPAC name of 4-(3-tetradecylheptadecyl)pyridine?
The IUPAC name of 4-(3-tetradecylheptadecyl)pyridine (CID 90972273) is 4-(3-tetradecylheptadecyl)pyridine.
What is the SMILES notation for 4-(3-tetradecylheptadecyl)pyridine?
The canonical SMILES for 4-(3-tetradecylheptadecyl)pyridine is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CCc1ccncc1.
What is the InChIKey of 4-(3-tetradecylheptadecyl)pyridine?
The InChIKey is XQKSAYHFMFXKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(29-30-36-31-33-37-34-32-36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-35H,3-30H2,1-2H3.
What are the key properties of 4-(3-tetradecylheptadecyl)pyridine?
4-(3-tetradecylheptadecyl)pyridine has a molecular weight of 513.94 g/mol, XLogP of 12.81, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tetradecylheptadecyl)pyridine is sourced from PubChem (CID 90972273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).