2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate

C14H27NO2 — CID 89177334

IUPAC2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C(C)(C)CCCCC
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-14(3,4)15(5)11-12-17-13(16)7-2/h7H,2,6,8-12H2,1,3-5H3
InChIKeyLDOXDZPKLDKGMR-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.01
Rot. Bonds9

About 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate

2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate (PubChem CID 89177334) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate
PubChem CID89177334
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C(C)(C)CCCCC
InChIInChI=1S/C14H27NO2/c1-6-8-9-10-14(3,4)15(5)11-12-17-13(16)7-2/h7H,2,6,8-12H2,1,3-5H3
InChIKeyLDOXDZPKLDKGMR-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.01
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

2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
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
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
2-[ethyl(methyl)amino]heptan-2-yl prop-2-enoate
CID 175005833

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate (CID 89177334) is 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(C)C(C)(C)CCCCC.
What is the InChIKey of 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate?
The InChIKey is LDOXDZPKLDKGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-9-10-14(3,4)15(5)11-12-17-13(16)7-2/h7H,2,6,8-12H2,1,3-5H3.
What are the key properties of 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate?
2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 89177334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).