ethyl 7-amino-8-methylnonanoate

C12H25NO2 — CID 14417997

IUPACethyl 7-amino-8-methylnonanoate
SMILESCCOC(=O)CCCCCC(N)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-15-12(14)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyAARWQBUFJFZTFS-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.48
Rot. Bonds8

About ethyl 7-amino-8-methylnonanoate

ethyl 7-amino-8-methylnonanoate (PubChem CID 14417997) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 7-amino-8-methylnonanoate.

Molecular Properties

Compound Nameethyl 7-amino-8-methylnonanoate
PubChem CID14417997
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 7-amino-8-methylnonanoate
SMILESCCOC(=O)CCCCCC(N)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-15-12(14)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyAARWQBUFJFZTFS-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-8-methylnonanoate?
The IUPAC name of ethyl 7-amino-8-methylnonanoate (CID 14417997) is ethyl 7-amino-8-methylnonanoate.
What is the SMILES notation for ethyl 7-amino-8-methylnonanoate?
The canonical SMILES for ethyl 7-amino-8-methylnonanoate is CCOC(=O)CCCCCC(N)C(C)C.
What is the InChIKey of ethyl 7-amino-8-methylnonanoate?
The InChIKey is AARWQBUFJFZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-12(14)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of ethyl 7-amino-8-methylnonanoate?
ethyl 7-amino-8-methylnonanoate has a molecular weight of 215.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-8-methylnonanoate is sourced from PubChem (CID 14417997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).