2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate

C13H27NO2 — CID 134213072

IUPAC2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
SMILESCC(C)N(CCOC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)14(11(3)4)8-9-16-12(15)13(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyUDMFPWJHPRDQDA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.69
Rot. Bonds5

About 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate

2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate (PubChem CID 134213072) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
PubChem CID134213072
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
SMILESCC(C)N(CCOC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)14(11(3)4)8-9-16-12(15)13(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyUDMFPWJHPRDQDA-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutanoyloxy)ethylazanium;2-[di(propan-2-yl)amino]ethyl 2,2-dimethylbutanoate;chloride
CID 159834862
2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
CID 142590782
3-chlorobutyl 2,2-dimethylpropanoate
CID 11672837
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
2-[di(propan-2-yl)amino]ethyl (E)-4-oxobut-2-enoate
CID 170122813
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
CID 138744841
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
CID 89201508
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
2-[di(propan-2-yl)amino]ethyl hexadecanoate
CID 54190007

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate (CID 134213072) is 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate is CC(C)N(CCOC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate?
The InChIKey is UDMFPWJHPRDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)14(11(3)4)8-9-16-12(15)13(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate?
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate has a molecular weight of 229.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 134213072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).