ethyl 2-(2-methylpropylamino)nonanoate

C15H31NO2 — CID 55224125

IUPACethyl 2-(2-methylpropylamino)nonanoate
SMILESCCCCCCCC(NCC(C)C)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-5-7-8-9-10-11-14(15(17)18-6-2)16-12-13(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyJPLHYVHJUWUBTJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.52
Rot. Bonds11

About ethyl 2-(2-methylpropylamino)nonanoate

ethyl 2-(2-methylpropylamino)nonanoate (PubChem CID 55224125) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is ethyl 2-(2-methylpropylamino)nonanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropylamino)nonanoate
PubChem CID55224125
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameethyl 2-(2-methylpropylamino)nonanoate
SMILESCCCCCCCC(NCC(C)C)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-5-7-8-9-10-11-14(15(17)18-6-2)16-12-13(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyJPLHYVHJUWUBTJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.52
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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Related Compounds

ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
acetic acid;ethyl 2-methyldecanoate
CID 175237590
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
O-ethyl 2-methyldecanethioate
CID 154148203
methyl 2-(propylamino)octanoate
CID 60795997
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
ethyl 2-methylhexanoate
CID 12714009
ethyl 2-(heptan-2-ylamino)butanoate
CID 64668767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropylamino)nonanoate?
The IUPAC name of ethyl 2-(2-methylpropylamino)nonanoate (CID 55224125) is ethyl 2-(2-methylpropylamino)nonanoate.
What is the SMILES notation for ethyl 2-(2-methylpropylamino)nonanoate?
The canonical SMILES for ethyl 2-(2-methylpropylamino)nonanoate is CCCCCCCC(NCC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylpropylamino)nonanoate?
The InChIKey is JPLHYVHJUWUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-7-8-9-10-11-14(15(17)18-6-2)16-12-13(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(2-methylpropylamino)nonanoate?
ethyl 2-(2-methylpropylamino)nonanoate has a molecular weight of 257.42 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropylamino)nonanoate is sourced from PubChem (CID 55224125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).