tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate

C11H24N2O2 — CID 123348622

IUPACtert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
SMILESCCN(CCNC)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-13(8-7-12-5)9-10(14)15-11(2,3)4/h12H,6-9H2,1-5H3
InChIKeyAOFQBOXKVVKLLD-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds6

About tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate

tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate (PubChem CID 123348622) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
PubChem CID123348622
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
SMILESCCN(CCNC)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-13(8-7-12-5)9-10(14)15-11(2,3)4/h12H,6-9H2,1-5H3
InChIKeyAOFQBOXKVVKLLD-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl 2-(methylamino)acetate;ethane
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tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
4-[2-[2-[2,2-dimethylpropyl-[2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]butane-1-sulfonic acid
CID 168845644
tert-butyl 2-[2-[(2-ethoxy-2-oxoethyl)-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]ethylamino]acetate
CID 139519561
CID 58915654
CID 58915654
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
tert-butyl 4-(diethylamino)butanoate
CID 122660980
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-oxo-2-(propylamino)ethyl]amino]ethylamino]acetate
CID 170059250
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-oxo-2-(pentylamino)ethyl]amino]ethyl]amino]acetate
CID 18778829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate (CID 123348622) is tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate is CCN(CCNC)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate?
The InChIKey is AOFQBOXKVVKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-13(8-7-12-5)9-10(14)15-11(2,3)4/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate?
tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate has a molecular weight of 216.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate is sourced from PubChem (CID 123348622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).