3-dodecan-6-yl-4-methylpyridine

C18H31N — CID 129130745

IUPAC3-dodecan-6-yl-4-methylpyridine
SMILESCCCCCCC(CCCCC)c1cnccc1C
InChIInChI=1S/C18H31N/c1-4-6-8-10-12-17(11-9-7-5-2)18-15-19-14-13-16(18)3/h13-15,17H,4-12H2,1-3H3
InChIKeyKYNBAKBTCBOGPI-UHFFFAOYSA-N
MW261.45 g/mol
LogP6.02
Rot. Bonds10

About 3-dodecan-6-yl-4-methylpyridine

3-dodecan-6-yl-4-methylpyridine (PubChem CID 129130745) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-dodecan-6-yl-4-methylpyridine.

Molecular Properties

Compound Name3-dodecan-6-yl-4-methylpyridine
PubChem CID129130745
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-dodecan-6-yl-4-methylpyridine
SMILESCCCCCCC(CCCCC)c1cnccc1C
InChIInChI=1S/C18H31N/c1-4-6-8-10-12-17(11-9-7-5-2)18-15-19-14-13-16(18)3/h13-15,17H,4-12H2,1-3H3
InChIKeyKYNBAKBTCBOGPI-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.02
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-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
3-dodecan-5-yl-4-fluoropyridine
CID 130271983
1-(4-methyl-3-pyridinyl)nonylhydrazine
CID 105279792
N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
3-tridecan-7-ylpyridine
CID 129119745
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
3-dodecan-5-ylpyridine
CID 71051175
1-decan-3-yl-2-methylbenzene
CID 152506171
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
3-decan-5-ylpyridine
CID 170375029
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808

Frequently Asked Questions

What is the IUPAC name of 3-dodecan-6-yl-4-methylpyridine?
The IUPAC name of 3-dodecan-6-yl-4-methylpyridine (CID 129130745) is 3-dodecan-6-yl-4-methylpyridine.
What is the SMILES notation for 3-dodecan-6-yl-4-methylpyridine?
The canonical SMILES for 3-dodecan-6-yl-4-methylpyridine is CCCCCCC(CCCCC)c1cnccc1C.
What is the InChIKey of 3-dodecan-6-yl-4-methylpyridine?
The InChIKey is KYNBAKBTCBOGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-6-8-10-12-17(11-9-7-5-2)18-15-19-14-13-16(18)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-dodecan-6-yl-4-methylpyridine?
3-dodecan-6-yl-4-methylpyridine has a molecular weight of 261.45 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecan-6-yl-4-methylpyridine is sourced from PubChem (CID 129130745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).