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

C17H33NO2 — CID 24807285

IUPACmethyl (2S)-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-/m0/s1
InChIKeyWBYSJVBGPDCOGO-HZGBGQKMSA-N
MW283.46 g/mol
LogP4.79
Rot. Bonds12

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

methyl (2S)-2-(decylideneamino)-4-methylpentanoate (PubChem CID 24807285) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl (2S)-2-(decylideneamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(decylideneamino)-4-methylpentanoate
PubChem CID24807285
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl (2S)-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-/m0/s1
InChIKeyWBYSJVBGPDCOGO-HZGBGQKMSA-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'}

Analyze methyl (2S)-2-(decylideneamino)-4-methylpentanoate 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

(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
CID 87991654
disodium;(2S)-4-methyl-2-(1-oxidododecylideneamino)pentanoate
CID 89052369
2-Methylpropyl 2-(ethylideneamino)-4-methylpentanoate
CID 91081013
methyl 4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 123973657
Ethyl 4-methyl-2-(propylideneamino)pentanoate
CID 155016448
sodium;hydride;(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
CID 173211622
methyl (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoate
CID 10856827
methyl (2S)-2-(hexylideneamino)-3-methylbutanoate
CID 15140235
methyl (2S)-2-(decylideneamino)-3-methylbutanoate
CID 24805670
methyl (2S)-2-(butylideneamino)-4-methylpentanoate
CID 24805671
methyl (2R)-2-(decylideneamino)-4-methylpentanoate
CID 24807656
CID 49765467
CID 49765467

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(decylideneamino)-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-(decylideneamino)-4-methylpentanoate (CID 24807285) is methyl (2S)-2-(decylideneamino)-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-(decylideneamino)-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-(decylideneamino)-4-methylpentanoate is CCCCCCCCC/C=N/[C@@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(decylideneamino)-4-methylpentanoate?
The InChIKey is WBYSJVBGPDCOGO-HZGBGQKMSA-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-/m0/s1.
What are the key properties of methyl (2S)-2-(decylideneamino)-4-methylpentanoate?
methyl (2S)-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 (2S)-2-(decylideneamino)-4-methylpentanoate is sourced from PubChem (CID 24807285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).