2-(nonan-5-ylamino)ethyl prop-2-enoate

C14H27NO2 — CID 175488339

IUPAC2-(nonan-5-ylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(CCCC)CCCC
InChIInChI=1S/C14H27NO2/c1-4-7-9-13(10-8-5-2)15-11-12-17-14(16)6-3/h6,13,15H,3-5,7-12H2,1-2H3
InChIKeyGFZNEVJCALQDFD-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds11

About 2-(nonan-5-ylamino)ethyl prop-2-enoate

2-(nonan-5-ylamino)ethyl prop-2-enoate (PubChem CID 175488339) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(nonan-5-ylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(nonan-5-ylamino)ethyl prop-2-enoate
PubChem CID175488339
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(nonan-5-ylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(CCCC)CCCC
InChIInChI=1S/C14H27NO2/c1-4-7-9-13(10-8-5-2)15-11-12-17-14(16)6-3/h6,13,15H,3-5,7-12H2,1-2H3
InChIKeyGFZNEVJCALQDFD-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390
4-hydroxyoctyl prop-2-enoate
CID 142754995
tributyl(4-prop-2-enoyloxybutyl)phosphanium
CID 18779276
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
2-(heptadecan-9-ylamino)ethyl acetate
CID 19824266
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
butan-2-one;butyl prop-2-enoate
CID 88737685
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
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

Frequently Asked Questions

What is the IUPAC name of 2-(nonan-5-ylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(nonan-5-ylamino)ethyl prop-2-enoate (CID 175488339) is 2-(nonan-5-ylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(nonan-5-ylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(nonan-5-ylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(CCCC)CCCC.
What is the InChIKey of 2-(nonan-5-ylamino)ethyl prop-2-enoate?
The InChIKey is GFZNEVJCALQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-7-9-13(10-8-5-2)15-11-12-17-14(16)6-3/h6,13,15H,3-5,7-12H2,1-2H3.
What are the key properties of 2-(nonan-5-ylamino)ethyl prop-2-enoate?
2-(nonan-5-ylamino)ethyl prop-2-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonan-5-ylamino)ethyl prop-2-enoate is sourced from PubChem (CID 175488339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).