5-decan-5-yl-2-methylpyridine

C16H27N — CID 91157636

IUPAC5-decan-5-yl-2-methylpyridine
SMILESCCCCCC(CCCC)c1ccc(C)nc1
InChIInChI=1S/C16H27N/c1-4-6-8-10-15(9-7-5-2)16-12-11-14(3)17-13-16/h11-13,15H,4-10H2,1-3H3
InChIKeyRXXQGONZQVKXFQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.24
Rot. Bonds8

About 5-decan-5-yl-2-methylpyridine

5-decan-5-yl-2-methylpyridine (PubChem CID 91157636) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-decan-5-yl-2-methylpyridine.

Molecular Properties

Compound Name5-decan-5-yl-2-methylpyridine
PubChem CID91157636
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-decan-5-yl-2-methylpyridine
SMILESCCCCCC(CCCC)c1ccc(C)nc1
InChIInChI=1S/C16H27N/c1-4-6-8-10-15(9-7-5-2)16-12-11-14(3)17-13-16/h11-13,15H,4-10H2,1-3H3
InChIKeyRXXQGONZQVKXFQ-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.24
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

N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
3-decan-5-ylpyridine
CID 170375029
3-dodecan-5-ylpyridine
CID 71051175
1-methyl-4-undecan-6-ylbenzene
CID 54207407
3-tridecan-7-ylpyridine
CID 129119745
(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(6-chloro-3-pyridinyl)octan-1-ol
CID 59729434
4-undecan-6-ylphenol
CID 66867197
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463

Frequently Asked Questions

What is the IUPAC name of 5-decan-5-yl-2-methylpyridine?
The IUPAC name of 5-decan-5-yl-2-methylpyridine (CID 91157636) is 5-decan-5-yl-2-methylpyridine.
What is the SMILES notation for 5-decan-5-yl-2-methylpyridine?
The canonical SMILES for 5-decan-5-yl-2-methylpyridine is CCCCCC(CCCC)c1ccc(C)nc1.
What is the InChIKey of 5-decan-5-yl-2-methylpyridine?
The InChIKey is RXXQGONZQVKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-8-10-15(9-7-5-2)16-12-11-14(3)17-13-16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 5-decan-5-yl-2-methylpyridine?
5-decan-5-yl-2-methylpyridine has a molecular weight of 233.40 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decan-5-yl-2-methylpyridine is sourced from PubChem (CID 91157636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).