2-methyliminopropyl 2-methylnonanoate

C14H27NO2 — CID 155120794

IUPAC2-methyliminopropyl 2-methylnonanoate
SMILESCCCCCCCC(C)C(=O)OC/C(C)=N/C
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-12(2)14(16)17-11-13(3)15-4/h12H,5-11H2,1-4H3/b15-13+
InChIKeyVUQPQKPNSFEADW-FYWRMAATSA-N
MW241.37 g/mol
LogP3.62
Rot. Bonds9

About 2-methyliminopropyl 2-methylnonanoate

2-methyliminopropyl 2-methylnonanoate (PubChem CID 155120794) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methyliminopropyl 2-methylnonanoate.

Molecular Properties

Compound Name2-methyliminopropyl 2-methylnonanoate
PubChem CID155120794
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methyliminopropyl 2-methylnonanoate
SMILESCCCCCCCC(C)C(=O)OC/C(C)=N/C
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-12(2)14(16)17-11-13(3)15-4/h12H,5-11H2,1-4H3/b15-13+
InChIKeyVUQPQKPNSFEADW-FYWRMAATSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.62
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 2-methyliminopropyl 2-methylnonanoate?
The IUPAC name of 2-methyliminopropyl 2-methylnonanoate (CID 155120794) is 2-methyliminopropyl 2-methylnonanoate.
What is the SMILES notation for 2-methyliminopropyl 2-methylnonanoate?
The canonical SMILES for 2-methyliminopropyl 2-methylnonanoate is CCCCCCCC(C)C(=O)OC/C(C)=N/C.
What is the InChIKey of 2-methyliminopropyl 2-methylnonanoate?
The InChIKey is VUQPQKPNSFEADW-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-7-8-9-10-12(2)14(16)17-11-13(3)15-4/h12H,5-11H2,1-4H3/b15-13+.
What are the key properties of 2-methyliminopropyl 2-methylnonanoate?
2-methyliminopropyl 2-methylnonanoate has a molecular weight of 241.37 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminopropyl 2-methylnonanoate is sourced from PubChem (CID 155120794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).