bis[3-(diethylamino)propyl] carbonate

C15H32N2O3 — CID 18944359

IUPACbis[3-(diethylamino)propyl] carbonate
SMILESCCN(CC)CCCOC(=O)OCCCN(CC)CC
InChIInChI=1S/C15H32N2O3/c1-5-16(6-2)11-9-13-19-15(18)20-14-10-12-17(7-3)8-4/h5-14H2,1-4H3
InChIKeyCVFIUXQPBUJZBL-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.60
Rot. Bonds12

About bis[3-(diethylamino)propyl] carbonate

bis[3-(diethylamino)propyl] carbonate (PubChem CID 18944359) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is bis[3-(diethylamino)propyl] carbonate.

Molecular Properties

Compound Namebis[3-(diethylamino)propyl] carbonate
PubChem CID18944359
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Namebis[3-(diethylamino)propyl] carbonate
SMILESCCN(CC)CCCOC(=O)OCCCN(CC)CC
InChIInChI=1S/C15H32N2O3/c1-5-16(6-2)11-9-13-19-15(18)20-14-10-12-17(7-3)8-4/h5-14H2,1-4H3
InChIKeyCVFIUXQPBUJZBL-UHFFFAOYSA-N
XLogP2.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[6-(diethylamino)hexyl] carbonate
CID 54452513
bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
bis[4-(diethylamino)butyl] propanedioate
CID 156562858
chloromethyl 2-(diethylamino)ethyl carbonate
CID 54133141
3-(diethylamino)propyl 2-methylbut-2-enoate
CID 150789406
3-(diethylamino)propyl octadecanoate
CID 139896219
[2-(butanoyloxymethyl)-3-[3-(diethylamino)propoxycarbonyloxy]propyl] hexanoate
CID 177257164
7-O-[2-[3-(diethylamino)propoxycarbonyloxymethyl]-3-(7-nonoxy-7-oxoheptanoyl)oxy-2-[(7-nonoxy-7-oxoheptanoyl)oxymethyl]propyl] 1-O-nonyl heptanedioate
CID 168955678
4-(diethylamino)butyl 3-oxobutanoate
CID 150051023
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
5-[ethyl(6-nonoxycarbonyloxyhexyl)amino]pentyl 2-octyldodecanoate
CID 170383491

Frequently Asked Questions

What is the IUPAC name of bis[3-(diethylamino)propyl] carbonate?
The IUPAC name of bis[3-(diethylamino)propyl] carbonate (CID 18944359) is bis[3-(diethylamino)propyl] carbonate.
What is the SMILES notation for bis[3-(diethylamino)propyl] carbonate?
The canonical SMILES for bis[3-(diethylamino)propyl] carbonate is CCN(CC)CCCOC(=O)OCCCN(CC)CC.
What is the InChIKey of bis[3-(diethylamino)propyl] carbonate?
The InChIKey is CVFIUXQPBUJZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-5-16(6-2)11-9-13-19-15(18)20-14-10-12-17(7-3)8-4/h5-14H2,1-4H3.
What are the key properties of bis[3-(diethylamino)propyl] carbonate?
bis[3-(diethylamino)propyl] carbonate has a molecular weight of 288.43 g/mol, XLogP of 2.60, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(diethylamino)propyl] carbonate is sourced from PubChem (CID 18944359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).