bis[(dipropylamino)methyl] propanedioate

C17H34N2O4 — CID 130471767

IUPACbis[(dipropylamino)methyl] propanedioate
SMILESCCCN(CCC)COC(=O)CC(=O)OCN(CCC)CCC
InChIInChI=1S/C17H34N2O4/c1-5-9-18(10-6-2)14-22-16(20)13-17(21)23-15-19(11-7-3)12-8-4/h5-15H2,1-4H3
InChIKeyNVOKGOAMVYBYTC-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.62
Rot. Bonds14

About bis[(dipropylamino)methyl] propanedioate

bis[(dipropylamino)methyl] propanedioate (PubChem CID 130471767) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is bis[(dipropylamino)methyl] propanedioate.

Molecular Properties

Compound Namebis[(dipropylamino)methyl] propanedioate
PubChem CID130471767
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Namebis[(dipropylamino)methyl] propanedioate
SMILESCCCN(CCC)COC(=O)CC(=O)OCN(CCC)CCC
InChIInChI=1S/C17H34N2O4/c1-5-9-18(10-6-2)14-22-16(20)13-17(21)23-15-19(11-7-3)12-8-4/h5-15H2,1-4H3
InChIKeyNVOKGOAMVYBYTC-UHFFFAOYSA-N
XLogP2.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl propanedioate;ethane
CID 123991095
butane;diethyl propanedioate
CID 87110467
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
diethyl propanedioate;titanium
CID 174779178
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
bis[4-(diethylamino)butyl] propanedioate
CID 156562858
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
bis(bromomethyl) propanedioate
CID 159444620

Frequently Asked Questions

What is the IUPAC name of bis[(dipropylamino)methyl] propanedioate?
The IUPAC name of bis[(dipropylamino)methyl] propanedioate (CID 130471767) is bis[(dipropylamino)methyl] propanedioate.
What is the SMILES notation for bis[(dipropylamino)methyl] propanedioate?
The canonical SMILES for bis[(dipropylamino)methyl] propanedioate is CCCN(CCC)COC(=O)CC(=O)OCN(CCC)CCC.
What is the InChIKey of bis[(dipropylamino)methyl] propanedioate?
The InChIKey is NVOKGOAMVYBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-5-9-18(10-6-2)14-22-16(20)13-17(21)23-15-19(11-7-3)12-8-4/h5-15H2,1-4H3.
What are the key properties of bis[(dipropylamino)methyl] propanedioate?
bis[(dipropylamino)methyl] propanedioate has a molecular weight of 330.47 g/mol, XLogP of 2.62, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(dipropylamino)methyl] propanedioate is sourced from PubChem (CID 130471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).