4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane

C24H47N — CID 144534294

IUPAC4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane
SMILESCC.CCC.CCCCc1c(C)cnc(C(CC)CCC)c1CCC
InChIInChI=1S/C19H33N.C3H8.C2H6/c1-6-10-13-17-15(5)14-20-19(18(17)12-8-3)16(9-4)11-7-2;1-3-2;1-2/h14,16H,6-13H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyJDRSQNYQNDALBN-UHFFFAOYSA-N
MW349.65 g/mol
LogP8.42
Rot. Bonds9

About 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane

4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane (PubChem CID 144534294) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane.

Molecular Properties

Compound Name4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane
PubChem CID144534294
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane
SMILESCC.CCC.CCCCc1c(C)cnc(C(CC)CCC)c1CCC
InChIInChI=1S/C19H33N.C3H8.C2H6/c1-6-10-13-17-15(5)14-20-19(18(17)12-8-3)16(9-4)11-7-2;1-3-2;1-2/h14,16H,6-13H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyJDRSQNYQNDALBN-UHFFFAOYSA-N
XLogP8.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
4-butyl-3-methylquinoline
CID 153439340
3-heptan-3-yl-1-methyl-4-propylpyrazol-5-amine
CID 79405405
2-hexan-3-yl-5-methyl-1H-imidazole
CID 170149364
4-butyl-5-ethyl-2-methyl-3-propylpyridine
CID 144533680
2-methyl-3-octan-4-ylpyrazine
CID 144869525
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
sodium;ethane;2-hexan-3-yl-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
CID 143760601
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
1,3-dimethyl-2-octan-3-ylbenzene
CID 144744268
3-hexan-3-yl-2-nonylphenol
CID 174697937

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane?
The IUPAC name of 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane (CID 144534294) is 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane.
What is the SMILES notation for 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane?
The canonical SMILES for 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane is CC.CCC.CCCCc1c(C)cnc(C(CC)CCC)c1CCC.
What is the InChIKey of 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane?
The InChIKey is JDRSQNYQNDALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.C3H8.C2H6/c1-6-10-13-17-15(5)14-20-19(18(17)12-8-3)16(9-4)11-7-2;1-3-2;1-2/h14,16H,6-13H2,1-5H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane?
4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane has a molecular weight of 349.65 g/mol, XLogP of 8.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-hexan-3-yl-5-methyl-3-propylpyridine;ethane;propane is sourced from PubChem (CID 144534294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).