3,5-bis(5-methylhexyl)pyridine

C19H33N — CID 90749065

IUPAC3,5-bis(5-methylhexyl)pyridine
SMILESCC(C)CCCCc1cncc(CCCCC(C)C)c1
InChIInChI=1S/C19H33N/c1-16(2)9-5-7-11-18-13-19(15-20-14-18)12-8-6-10-17(3)4/h13-17H,5-12H2,1-4H3
InChIKeyDJDOHOYFZNTFHG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.82
Rot. Bonds10

About 3,5-bis(5-methylhexyl)pyridine

3,5-bis(5-methylhexyl)pyridine (PubChem CID 90749065) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3,5-bis(5-methylhexyl)pyridine.

Molecular Properties

Compound Name3,5-bis(5-methylhexyl)pyridine
PubChem CID90749065
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3,5-bis(5-methylhexyl)pyridine
SMILESCC(C)CCCCc1cncc(CCCCC(C)C)c1
InChIInChI=1S/C19H33N/c1-16(2)9-5-7-11-18-13-19(15-20-14-18)12-8-6-10-17(3)4/h13-17H,5-12H2,1-4H3
InChIKeyDJDOHOYFZNTFHG-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.82
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

3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1,3-bis(ethenyl)-5-(5-methylhexyl)benzene
CID 159340310
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
CID 139601485
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
3,6-bis(5-methylhexyl)-9H-fluorene
CID 141425162
1-chloro-3-(7-methyloctyl)benzene
CID 168947295

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-methylhexyl)pyridine?
The IUPAC name of 3,5-bis(5-methylhexyl)pyridine (CID 90749065) is 3,5-bis(5-methylhexyl)pyridine.
What is the SMILES notation for 3,5-bis(5-methylhexyl)pyridine?
The canonical SMILES for 3,5-bis(5-methylhexyl)pyridine is CC(C)CCCCc1cncc(CCCCC(C)C)c1.
What is the InChIKey of 3,5-bis(5-methylhexyl)pyridine?
The InChIKey is DJDOHOYFZNTFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-16(2)9-5-7-11-18-13-19(15-20-14-18)12-8-6-10-17(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 3,5-bis(5-methylhexyl)pyridine?
3,5-bis(5-methylhexyl)pyridine has a molecular weight of 275.48 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-methylhexyl)pyridine is sourced from PubChem (CID 90749065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).