methyl (2R)-2-(decylideneamino)-4-methylpentanoate

C17H33NO2 — CID 24807656

IUPACmethyl (2R)-2-(decylideneamino)-4-methylpentanoate
SMILESCCCCCCCCC/C=N/[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C17H33NO2/c1-5-6-7-8-9-10-11-12-13-18-16(14-15(2)3)17(19)20-4/h13,15-16H,5-12,14H2,1-4H3/b18-13+/t16-/m1/s1
InChIKeyWBYSJVBGPDCOGO-APVMCDBPSA-N
MW283.46 g/mol
LogP4.79
Rot. Bonds12

About methyl (2R)-2-(decylideneamino)-4-methylpentanoate

methyl (2R)-2-(decylideneamino)-4-methylpentanoate (PubChem CID 24807656) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl (2R)-2-(decylideneamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(decylideneamino)-4-methylpentanoate
PubChem CID24807656
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl (2R)-2-(decylideneamino)-4-methylpentanoate
SMILESCCCCCCCCC/C=N/[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C17H33NO2/c1-5-6-7-8-9-10-11-12-13-18-16(14-15(2)3)17(19)20-4/h13,15-16H,5-12,14H2,1-4H3/b18-13+/t16-/m1/s1
InChIKeyWBYSJVBGPDCOGO-APVMCDBPSA-N
XLogP4.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(decylideneamino)-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-(decylideneamino)-4-methylpentanoate (CID 24807656) is methyl (2R)-2-(decylideneamino)-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-(decylideneamino)-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-(decylideneamino)-4-methylpentanoate is CCCCCCCCC/C=N/[C@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(decylideneamino)-4-methylpentanoate?
The InChIKey is WBYSJVBGPDCOGO-APVMCDBPSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-6-7-8-9-10-11-12-13-18-16(14-15(2)3)17(19)20-4/h13,15-16H,5-12,14H2,1-4H3/b18-13+/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(decylideneamino)-4-methylpentanoate?
methyl (2R)-2-(decylideneamino)-4-methylpentanoate has a molecular weight of 283.46 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(decylideneamino)-4-methylpentanoate is sourced from PubChem (CID 24807656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).