ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate

C14H25NO2 — CID 102218408

IUPACethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate
SMILESC=CCN(CC=C)C(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H25NO2/c1-6-9-15(10-7-2)13(11-12(4)5)14(16)17-8-3/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyQNYMCORJETVECS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds9

About ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate

ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate (PubChem CID 102218408) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate
PubChem CID102218408
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate
SMILESC=CCN(CC=C)C(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H25NO2/c1-6-9-15(10-7-2)13(11-12(4)5)14(16)17-8-3/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyQNYMCORJETVECS-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate?
The IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate (CID 102218408) is ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate?
The canonical SMILES for ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate is C=CCN(CC=C)C(CC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate?
The InChIKey is QNYMCORJETVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-9-15(10-7-2)13(11-12(4)5)14(16)17-8-3/h6-7,12-13H,1-2,8-11H2,3-5H3.
What are the key properties of ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate?
ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate has a molecular weight of 239.36 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(prop-2-enyl)amino]-4-methylpentanoate is sourced from PubChem (CID 102218408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).