methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate

C15H33N3O2 — CID 142240195

IUPACmethyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
SMILESCCN(CC)CCN(CCN(CC)CC)CC(=O)OC
InChIInChI=1S/C15H33N3O2/c1-6-16(7-2)10-12-18(14-15(19)20-5)13-11-17(8-3)9-4/h6-14H2,1-5H3
InChIKeyPNWDVDOOZLKALZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.14
Rot. Bonds12

About methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate

methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate (PubChem CID 142240195) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
PubChem CID142240195
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Namemethyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
SMILESCCN(CC)CCN(CCN(CC)CC)CC(=O)OC
InChIInChI=1S/C15H33N3O2/c1-6-16(7-2)10-12-18(14-15(19)20-5)13-11-17(8-3)9-4/h6-14H2,1-5H3
InChIKeyPNWDVDOOZLKALZ-UHFFFAOYSA-N
XLogP1.14
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
CID 62012741
methyl 2-[but-2-ynyl(ethyl)amino]acetate
CID 62309802
methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate
CID 106439806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate (CID 142240195) is methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate is CCN(CC)CCN(CCN(CC)CC)CC(=O)OC.
What is the InChIKey of methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate?
The InChIKey is PNWDVDOOZLKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-6-16(7-2)10-12-18(14-15(19)20-5)13-11-17(8-3)9-4/h6-14H2,1-5H3.
What are the key properties of methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate?
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate has a molecular weight of 287.45 g/mol, XLogP of 1.14, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate is sourced from PubChem (CID 142240195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).