2-(dihexylamino)ethyl prop-2-enoate

C17H33NO2 — CID 54463333

IUPAC2-(dihexylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCCCCC)CCCCCC
InChIInChI=1S/C17H33NO2/c1-4-7-9-11-13-18(14-12-10-8-5-2)15-16-20-17(19)6-3/h6H,3-5,7-16H2,1-2H3
InChIKeyXDDIBAVYVYCQBC-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.18
Rot. Bonds14

About 2-(dihexylamino)ethyl prop-2-enoate

2-(dihexylamino)ethyl prop-2-enoate (PubChem CID 54463333) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(dihexylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(dihexylamino)ethyl prop-2-enoate
PubChem CID54463333
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(dihexylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCCCCC)CCCCCC
InChIInChI=1S/C17H33NO2/c1-4-7-9-11-13-18(14-12-10-8-5-2)15-16-20-17(19)6-3/h6H,3-5,7-16H2,1-2H3
InChIKeyXDDIBAVYVYCQBC-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(dihexylamino)methyl prop-2-enoate
CID 22389684
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168

Frequently Asked Questions

What is the IUPAC name of 2-(dihexylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(dihexylamino)ethyl prop-2-enoate (CID 54463333) is 2-(dihexylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(dihexylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(dihexylamino)ethyl prop-2-enoate is C=CC(=O)OCCN(CCCCCC)CCCCCC.
What is the InChIKey of 2-(dihexylamino)ethyl prop-2-enoate?
The InChIKey is XDDIBAVYVYCQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-7-9-11-13-18(14-12-10-8-5-2)15-16-20-17(19)6-3/h6H,3-5,7-16H2,1-2H3.
What are the key properties of 2-(dihexylamino)ethyl prop-2-enoate?
2-(dihexylamino)ethyl prop-2-enoate has a molecular weight of 283.46 g/mol, XLogP of 4.18, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihexylamino)ethyl prop-2-enoate is sourced from PubChem (CID 54463333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).