ethane;2-methyl-3-propylpyridine;1-propoxybutane

C22H47NO — CID 153393005

IUPACethane;2-methyl-3-propylpyridine;1-propoxybutane
SMILESCC.CC.CC.CCCCOCCC.CCCc1cccnc1C
InChIInChI=1S/C9H13N.C7H16O.3C2H6/c1-3-5-9-6-4-7-10-8(9)2;1-3-5-7-8-6-4-2;3*1-2/h4,6-7H,3,5H2,1-2H3;3-7H2,1-2H3;3*1-2H3
InChIKeyYMZCUEZYFBPHEY-UHFFFAOYSA-N
MW341.62 g/mol
LogP7.63
Rot. Bonds7

About ethane;2-methyl-3-propylpyridine;1-propoxybutane

ethane;2-methyl-3-propylpyridine;1-propoxybutane (PubChem CID 153393005) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is ethane;2-methyl-3-propylpyridine;1-propoxybutane.

Molecular Properties

Compound Nameethane;2-methyl-3-propylpyridine;1-propoxybutane
PubChem CID153393005
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Nameethane;2-methyl-3-propylpyridine;1-propoxybutane
SMILESCC.CC.CC.CCCCOCCC.CCCc1cccnc1C
InChIInChI=1S/C9H13N.C7H16O.3C2H6/c1-3-5-9-6-4-7-10-8(9)2;1-3-5-7-8-6-4-2;3*1-2/h4,6-7H,3,5H2,1-2H3;3-7H2,1-2H3;3*1-2H3
InChIKeyYMZCUEZYFBPHEY-UHFFFAOYSA-N
XLogP7.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-propylpyridine;1-propoxybutane?
The IUPAC name of ethane;2-methyl-3-propylpyridine;1-propoxybutane (CID 153393005) is ethane;2-methyl-3-propylpyridine;1-propoxybutane.
What is the SMILES notation for ethane;2-methyl-3-propylpyridine;1-propoxybutane?
The canonical SMILES for ethane;2-methyl-3-propylpyridine;1-propoxybutane is CC.CC.CC.CCCCOCCC.CCCc1cccnc1C.
What is the InChIKey of ethane;2-methyl-3-propylpyridine;1-propoxybutane?
The InChIKey is YMZCUEZYFBPHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C7H16O.3C2H6/c1-3-5-9-6-4-7-10-8(9)2;1-3-5-7-8-6-4-2;3*1-2/h4,6-7H,3,5H2,1-2H3;3-7H2,1-2H3;3*1-2H3.
What are the key properties of ethane;2-methyl-3-propylpyridine;1-propoxybutane?
ethane;2-methyl-3-propylpyridine;1-propoxybutane has a molecular weight of 341.62 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-propylpyridine;1-propoxybutane is sourced from PubChem (CID 153393005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).