bis[1-(ethylamino)propyl] (Z)-but-2-enedioate

C14H26N2O4 — CID 88732806

IUPACbis[1-(ethylamino)propyl] (Z)-but-2-enedioate
SMILESCCNC(CC)OC(=O)/C=C\C(=O)OC(CC)NCC
InChIInChI=1S/C14H26N2O4/c1-5-11(15-7-3)19-13(17)9-10-14(18)20-12(6-2)16-8-4/h9-12,15-16H,5-8H2,1-4H3/b10-9-
InChIKeyQPDYWKPTLSEAAV-KTKRTIGZSA-N
MW286.37 g/mol
LogP1.32
Rot. Bonds10

About bis[1-(ethylamino)propyl] (Z)-but-2-enedioate

bis[1-(ethylamino)propyl] (Z)-but-2-enedioate (PubChem CID 88732806) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is bis[1-(ethylamino)propyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis[1-(ethylamino)propyl] (Z)-but-2-enedioate
PubChem CID88732806
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namebis[1-(ethylamino)propyl] (Z)-but-2-enedioate
SMILESCCNC(CC)OC(=O)/C=C\C(=O)OC(CC)NCC
InChIInChI=1S/C14H26N2O4/c1-5-11(15-7-3)19-13(17)9-10-14(18)20-12(6-2)16-8-4/h9-12,15-16H,5-8H2,1-4H3/b10-9-
InChIKeyQPDYWKPTLSEAAV-KTKRTIGZSA-N
XLogP1.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
dipentan-3-yl hexa-2,4-dienedioate
CID 123772467
1-(carbamoylamino)propyl prop-2-enoate
CID 87391559
bis(ethylamino) (E)-but-2-enedioate
CID 174375026
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
bis(1-propylsilylpropyl) (E)-but-2-enedioate
CID 173067176
butan-2-yl (Z)-4-oxo-4-(propylamino)but-2-enoate
CID 139690830
bis(1-aminobutyl) (E)-but-2-enedioate
CID 87656163
1-O-(2-methylpropyl) 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91721922
3-methylpentan-2-yl but-2-enoate
CID 86762558

Frequently Asked Questions

What is the IUPAC name of bis[1-(ethylamino)propyl] (Z)-but-2-enedioate?
The IUPAC name of bis[1-(ethylamino)propyl] (Z)-but-2-enedioate (CID 88732806) is bis[1-(ethylamino)propyl] (Z)-but-2-enedioate.
What is the SMILES notation for bis[1-(ethylamino)propyl] (Z)-but-2-enedioate?
The canonical SMILES for bis[1-(ethylamino)propyl] (Z)-but-2-enedioate is CCNC(CC)OC(=O)/C=C\C(=O)OC(CC)NCC.
What is the InChIKey of bis[1-(ethylamino)propyl] (Z)-but-2-enedioate?
The InChIKey is QPDYWKPTLSEAAV-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-11(15-7-3)19-13(17)9-10-14(18)20-12(6-2)16-8-4/h9-12,15-16H,5-8H2,1-4H3/b10-9-.
What are the key properties of bis[1-(ethylamino)propyl] (Z)-but-2-enedioate?
bis[1-(ethylamino)propyl] (Z)-but-2-enedioate has a molecular weight of 286.37 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(ethylamino)propyl] (Z)-but-2-enedioate is sourced from PubChem (CID 88732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).