5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate

C19H39NO3 — CID 143222357

IUPAC5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate
SMILESCCCCN(C)CCCOCCCCCOC(=O)CC(C)CC
InChIInChI=1S/C19H39NO3/c1-5-7-12-20(4)13-11-15-22-14-9-8-10-16-23-19(21)17-18(3)6-2/h18H,5-17H2,1-4H3
InChIKeyVYVOXTKPDXZADE-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.27
Rot. Bonds16

About 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate

5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate (PubChem CID 143222357) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate.

Molecular Properties

Compound Name5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate
PubChem CID143222357
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate
SMILESCCCCN(C)CCCOCCCCCOC(=O)CC(C)CC
InChIInChI=1S/C19H39NO3/c1-5-7-12-20(4)13-11-15-22-14-9-8-10-16-23-19(21)17-18(3)6-2/h18H,5-17H2,1-4H3
InChIKeyVYVOXTKPDXZADE-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 3-heptoxypropanoate
CID 101325522
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
tricosyl 12-methyltetradecanoate
CID 134812031
tridecyl 3-[3-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389555
diheptyl 3-methyldodecanedioate
CID 87115928
tetradecyl 3-[3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 73389645
1-O-heptyl 5-O-(3-methylpentyl) pentanedioate
CID 91706829
10-O-(2-methylbutyl) 1-O-tridecyl decanedioate
CID 91729215
1-O-hexyl 7-O-(2-methylbutyl) heptanedioate
CID 91718165

Frequently Asked Questions

What is the IUPAC name of 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate?
The IUPAC name of 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate (CID 143222357) is 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate.
What is the SMILES notation for 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate?
The canonical SMILES for 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate is CCCCN(C)CCCOCCCCCOC(=O)CC(C)CC.
What is the InChIKey of 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate?
The InChIKey is VYVOXTKPDXZADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-5-7-12-20(4)13-11-15-22-14-9-8-10-16-23-19(21)17-18(3)6-2/h18H,5-17H2,1-4H3.
What are the key properties of 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate?
5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate has a molecular weight of 329.53 g/mol, XLogP of 4.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate is sourced from PubChem (CID 143222357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).