methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate

C14H27NO2 — CID 174839195

IUPACmethyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate
SMILESCCC=C(CCN(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C14H27NO2/c1-7-8-13(14(16)17-6)9-10-15(11(2)3)12(4)5/h8,11-12H,7,9-10H2,1-6H3
InChIKeyFVWAFJXOWQUXRT-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate

methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate (PubChem CID 174839195) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate
PubChem CID174839195
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate
SMILESCCC=C(CCN(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C14H27NO2/c1-7-8-13(14(16)17-6)9-10-15(11(2)3)12(4)5/h8,11-12H,7,9-10H2,1-6H3
InChIKeyFVWAFJXOWQUXRT-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate?
The IUPAC name of methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate (CID 174839195) is methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate.
What is the SMILES notation for methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate?
The canonical SMILES for methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate is CCC=C(CCN(C(C)C)C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate?
The InChIKey is FVWAFJXOWQUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-8-13(14(16)17-6)9-10-15(11(2)3)12(4)5/h8,11-12H,7,9-10H2,1-6H3.
What are the key properties of methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate?
methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[di(propan-2-yl)amino]ethyl]pent-2-enoate is sourced from PubChem (CID 174839195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).