octyl 2-[3-(dimethylamino)propylamino]acetate

C15H32N2O2 — CID 176847231

IUPACoctyl 2-[3-(dimethylamino)propylamino]acetate
SMILESCCCCCCCCOC(=O)CNCCCN(C)C
InChIInChI=1S/C15H32N2O2/c1-4-5-6-7-8-9-13-19-15(18)14-16-11-10-12-17(2)3/h16H,4-14H2,1-3H3
InChIKeyOAMXJVKULCCJLB-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds13

About octyl 2-[3-(dimethylamino)propylamino]acetate

octyl 2-[3-(dimethylamino)propylamino]acetate (PubChem CID 176847231) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is octyl 2-[3-(dimethylamino)propylamino]acetate.

Molecular Properties

Compound Nameoctyl 2-[3-(dimethylamino)propylamino]acetate
PubChem CID176847231
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameoctyl 2-[3-(dimethylamino)propylamino]acetate
SMILESCCCCCCCCOC(=O)CNCCCN(C)C
InChIInChI=1S/C15H32N2O2/c1-4-5-6-7-8-9-13-19-15(18)14-16-11-10-12-17(2)3/h16H,4-14H2,1-3H3
InChIKeyOAMXJVKULCCJLB-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(octylamino)acetate
CID 115567498
dodecyl 3-(dimethylamino)propanoate
CID 11483031
propyl 2-(butylamino)acetate
CID 118604269
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
3-[4-(dimethylamino)butylamino]propyl pentanoate
CID 174293227
3-(dimethylamino)propanoic acid;dioctadecyl butanedioate
CID 177149030
octyl 2-(2-methylpropylamino)acetate
CID 63065599
nonyl 4-(nonylamino)butanoate
CID 142432007
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797

Frequently Asked Questions

What is the IUPAC name of octyl 2-[3-(dimethylamino)propylamino]acetate?
The IUPAC name of octyl 2-[3-(dimethylamino)propylamino]acetate (CID 176847231) is octyl 2-[3-(dimethylamino)propylamino]acetate.
What is the SMILES notation for octyl 2-[3-(dimethylamino)propylamino]acetate?
The canonical SMILES for octyl 2-[3-(dimethylamino)propylamino]acetate is CCCCCCCCOC(=O)CNCCCN(C)C.
What is the InChIKey of octyl 2-[3-(dimethylamino)propylamino]acetate?
The InChIKey is OAMXJVKULCCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-5-6-7-8-9-13-19-15(18)14-16-11-10-12-17(2)3/h16H,4-14H2,1-3H3.
What are the key properties of octyl 2-[3-(dimethylamino)propylamino]acetate?
octyl 2-[3-(dimethylamino)propylamino]acetate has a molecular weight of 272.43 g/mol, XLogP of 2.43, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[3-(dimethylamino)propylamino]acetate is sourced from PubChem (CID 176847231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).