decyl 3-(2-aminoethylamino)-2-methylpropanoate

C16H34N2O2 — CID 20551178

IUPACdecyl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCCCCCCCCCCOC(=O)C(C)CNCCN
InChIInChI=1S/C16H34N2O2/c1-3-4-5-6-7-8-9-10-13-20-16(19)15(2)14-18-12-11-17/h15,18H,3-14,17H2,1-2H3
InChIKeyFBWHGDZJIGEQLC-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.85
Rot. Bonds14

About decyl 3-(2-aminoethylamino)-2-methylpropanoate

decyl 3-(2-aminoethylamino)-2-methylpropanoate (PubChem CID 20551178) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is decyl 3-(2-aminoethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namedecyl 3-(2-aminoethylamino)-2-methylpropanoate
PubChem CID20551178
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Namedecyl 3-(2-aminoethylamino)-2-methylpropanoate
SMILESCCCCCCCCCCOC(=O)C(C)CNCCN
InChIInChI=1S/C16H34N2O2/c1-3-4-5-6-7-8-9-10-13-20-16(19)15(2)14-18-12-11-17/h15,18H,3-14,17H2,1-2H3
InChIKeyFBWHGDZJIGEQLC-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
hexyl 2-methyldodecanoate
CID 174392697
dodecyl 2-methyltetradecanoate
CID 88541423
dodecyl 2-methylhexanoate
CID 20682052
decyl 2-methylhexanoate
CID 86220664
4-O-decyl 1-O-octyl (2R)-2-methylbutanedioate
CID 170657215
octyl 2-(2-methylpropylamino)acetate
CID 63065599
propan-2-yl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551228
butyl 2-methyloctanoate
CID 54180722
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
heptyl 2-aminopropanoate
CID 14657662

Frequently Asked Questions

What is the IUPAC name of decyl 3-(2-aminoethylamino)-2-methylpropanoate?
The IUPAC name of decyl 3-(2-aminoethylamino)-2-methylpropanoate (CID 20551178) is decyl 3-(2-aminoethylamino)-2-methylpropanoate.
What is the SMILES notation for decyl 3-(2-aminoethylamino)-2-methylpropanoate?
The canonical SMILES for decyl 3-(2-aminoethylamino)-2-methylpropanoate is CCCCCCCCCCOC(=O)C(C)CNCCN.
What is the InChIKey of decyl 3-(2-aminoethylamino)-2-methylpropanoate?
The InChIKey is FBWHGDZJIGEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-3-4-5-6-7-8-9-10-13-20-16(19)15(2)14-18-12-11-17/h15,18H,3-14,17H2,1-2H3.
What are the key properties of decyl 3-(2-aminoethylamino)-2-methylpropanoate?
decyl 3-(2-aminoethylamino)-2-methylpropanoate has a molecular weight of 286.46 g/mol, XLogP of 2.85, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-(2-aminoethylamino)-2-methylpropanoate is sourced from PubChem (CID 20551178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).