methyl 2-(undecylideneamino)acetate

C14H27NO2 — CID 139254785

IUPACmethyl 2-(undecylideneamino)acetate
SMILESCCCCCCCCCC/C=N/CC(=O)OC
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17-2/h12H,3-11,13H2,1-2H3/b15-12+
InChIKeyUZSQTNTXJCHSCI-NTCAYCPXSA-N
MW241.37 g/mol
LogP3.76
Rot. Bonds11

About methyl 2-(undecylideneamino)acetate

methyl 2-(undecylideneamino)acetate (PubChem CID 139254785) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-(undecylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(undecylideneamino)acetate
PubChem CID139254785
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-(undecylideneamino)acetate
SMILESCCCCCCCCCC/C=N/CC(=O)OC
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17-2/h12H,3-11,13H2,1-2H3/b15-12+
InChIKeyUZSQTNTXJCHSCI-NTCAYCPXSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.76
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 2-(undecylideneamino)acetate?
The IUPAC name of methyl 2-(undecylideneamino)acetate (CID 139254785) is methyl 2-(undecylideneamino)acetate.
What is the SMILES notation for methyl 2-(undecylideneamino)acetate?
The canonical SMILES for methyl 2-(undecylideneamino)acetate is CCCCCCCCCC/C=N/CC(=O)OC.
What is the InChIKey of methyl 2-(undecylideneamino)acetate?
The InChIKey is UZSQTNTXJCHSCI-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17-2/h12H,3-11,13H2,1-2H3/b15-12+.
What are the key properties of methyl 2-(undecylideneamino)acetate?
methyl 2-(undecylideneamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(undecylideneamino)acetate is sourced from PubChem (CID 139254785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).