1-(2-aminoethoxy)dodecan-2-one

C14H29NO2 — CID 116590896

IUPAC1-(2-aminoethoxy)dodecan-2-one
SMILESCCCCCCCCCCC(=O)COCCN
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-14(16)13-17-12-11-15/h2-13,15H2,1H3
InChIKeyOEMBGBKEWNIPFO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.06
Rot. Bonds13

About 1-(2-aminoethoxy)dodecan-2-one

1-(2-aminoethoxy)dodecan-2-one (PubChem CID 116590896) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-aminoethoxy)dodecan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)dodecan-2-one
PubChem CID116590896
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2-aminoethoxy)dodecan-2-one
SMILESCCCCCCCCCCC(=O)COCCN
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-14(16)13-17-12-11-15/h2-13,15H2,1H3
InChIKeyOEMBGBKEWNIPFO-UHFFFAOYSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.06
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

1-hexoxyundecan-2-one
CID 57063853
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
1-ethoxyhexadecan-2-one
CID 58991968
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
1,4-dioctoxybutan-2-one
CID 71375550
dodecyl-icosyl-methyl-[2-(2-oxoicosoxy)ethyl]azanium
CID 57041046
1-(2-aminoethoxy)butan-2-one
CID 116590811
1-[2-[2-[2-[2-(3-hexylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-2-one
CID 170040713
2-oxodecyl carbamate
CID 175306770
1-(2-oxopropoxy)decan-4-one
CID 158938156
1-methoxydecan-2-one
CID 10352423
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)dodecan-2-one?
The IUPAC name of 1-(2-aminoethoxy)dodecan-2-one (CID 116590896) is 1-(2-aminoethoxy)dodecan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)dodecan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)dodecan-2-one is CCCCCCCCCCC(=O)COCCN.
What is the InChIKey of 1-(2-aminoethoxy)dodecan-2-one?
The InChIKey is OEMBGBKEWNIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-14(16)13-17-12-11-15/h2-13,15H2,1H3.
What are the key properties of 1-(2-aminoethoxy)dodecan-2-one?
1-(2-aminoethoxy)dodecan-2-one has a molecular weight of 243.39 g/mol, XLogP of 3.06, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)dodecan-2-one is sourced from PubChem (CID 116590896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).