1-(dimethylamino)ethyl nonanoate

C13H27NO2 — CID 88815154

IUPAC1-(dimethylamino)ethyl nonanoate
SMILESCCCCCCCCC(=O)OC(C)N(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-13(15)16-12(2)14(3)4/h12H,5-11H2,1-4H3
InChIKeyWAJFPAKUGXJNAE-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.19
Rot. Bonds9

About 1-(dimethylamino)ethyl nonanoate

1-(dimethylamino)ethyl nonanoate (PubChem CID 88815154) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl nonanoate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl nonanoate
PubChem CID88815154
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(dimethylamino)ethyl nonanoate
SMILESCCCCCCCCC(=O)OC(C)N(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-13(15)16-12(2)14(3)4/h12H,5-11H2,1-4H3
InChIKeyWAJFPAKUGXJNAE-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(octadecyl)amino]ethyl hexadecanoate
CID 19781253
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl undecanoate
CID 3016538
N,N-dimethylmethanamine;1-iodoethyl tetradecanoate
CID 88793397
1-[2-hydroxyethyl(1-octadecanoyloxyethyl)amino]ethyl octadecanoate
CID 90103858
1-(dimethylamino)propan-2-yl decanoate
CID 25190133
1-hydroxyethyl decanoate
CID 176884014
1-hydroxyethyl hexadecanoate
CID 87454687
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
[(2S)-3-methylbutan-2-yl] octanoate
CID 118411407
4-hexadecanoyloxypentan-2-yl octadecanoate
CID 86056824

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl nonanoate?
The IUPAC name of 1-(dimethylamino)ethyl nonanoate (CID 88815154) is 1-(dimethylamino)ethyl nonanoate.
What is the SMILES notation for 1-(dimethylamino)ethyl nonanoate?
The canonical SMILES for 1-(dimethylamino)ethyl nonanoate is CCCCCCCCC(=O)OC(C)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl nonanoate?
The InChIKey is WAJFPAKUGXJNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-13(15)16-12(2)14(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(dimethylamino)ethyl nonanoate?
1-(dimethylamino)ethyl nonanoate has a molecular weight of 229.36 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl nonanoate is sourced from PubChem (CID 88815154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).