tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate

C14H29NO2 — CID 159831109

IUPACtert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-8-9-15(11-13(2,3)4)10-12(16)17-14(5,6)7/h8-11H2,1-7H3
InChIKeyXPSNCNASZAFXAI-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate

tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate (PubChem CID 159831109) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
PubChem CID159831109
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nametert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-8-9-15(11-13(2,3)4)10-12(16)17-14(5,6)7/h8-11H2,1-7H3
InChIKeyXPSNCNASZAFXAI-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
tert-butyl 2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-propylamino]ethyl-propylamino]acetate;pentan-1-amine;propane
CID 145080962
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
CID 123348622
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
tert-butyl 2-[2-[bis[(Z)-non-3-enyl]amino]ethyl-[(Z)-non-3-enyl]amino]acetate
CID 142498872
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
ethyl 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]acetate
CID 56806573
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
3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]propyl hexanoate
CID 129286483
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate?
The IUPAC name of tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate (CID 159831109) is tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate is CCCN(CC(=O)OC(C)(C)C)CC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate?
The InChIKey is XPSNCNASZAFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-8-9-15(11-13(2,3)4)10-12(16)17-14(5,6)7/h8-11H2,1-7H3.
What are the key properties of tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate?
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate has a molecular weight of 243.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate is sourced from PubChem (CID 159831109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).