1-decyl-4-methyl-2H-pyridine

C16H29N — CID 141124014

IUPAC1-decyl-4-methyl-2H-pyridine
SMILESCCCCCCCCCCN1C=CC(C)=CC1
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-13-17-14-11-16(2)12-15-17/h11-12,14H,3-10,13,15H2,1-2H3
InChIKeyFLWAYULTXPCRPD-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.90
Rot. Bonds9

About 1-decyl-4-methyl-2H-pyridine

1-decyl-4-methyl-2H-pyridine (PubChem CID 141124014) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-decyl-4-methyl-2H-pyridine.

Molecular Properties

Compound Name1-decyl-4-methyl-2H-pyridine
PubChem CID141124014
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-decyl-4-methyl-2H-pyridine
SMILESCCCCCCCCCCN1C=CC(C)=CC1
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-13-17-14-11-16(2)12-15-17/h11-12,14H,3-10,13,15H2,1-2H3
InChIKeyFLWAYULTXPCRPD-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.90
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

1-hexyl-4-methyl-2H-pyridine;hydrochloride
CID 175139051
1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate
CID 161079297
5,10,15,20-tetrakis(1-octadecyl-2H-pyridin-4-yl)-21,23-dihydroporphyrin
CID 136593498
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-methyl-2H-pyridine?
The IUPAC name of 1-decyl-4-methyl-2H-pyridine (CID 141124014) is 1-decyl-4-methyl-2H-pyridine.
What is the SMILES notation for 1-decyl-4-methyl-2H-pyridine?
The canonical SMILES for 1-decyl-4-methyl-2H-pyridine is CCCCCCCCCCN1C=CC(C)=CC1.
What is the InChIKey of 1-decyl-4-methyl-2H-pyridine?
The InChIKey is FLWAYULTXPCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-4-5-6-7-8-9-10-13-17-14-11-16(2)12-15-17/h11-12,14H,3-10,13,15H2,1-2H3.
What are the key properties of 1-decyl-4-methyl-2H-pyridine?
1-decyl-4-methyl-2H-pyridine has a molecular weight of 235.41 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-methyl-2H-pyridine is sourced from PubChem (CID 141124014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).