2-(butylamino)ethyl 2,2-dimethylpropanoate

C11H23NO2 — CID 82532408

IUPAC2-(butylamino)ethyl 2,2-dimethylpropanoate
SMILESCCCCNCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-7-12-8-9-14-10(13)11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyOWPUMPONQVPGJX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds6

About 2-(butylamino)ethyl 2,2-dimethylpropanoate

2-(butylamino)ethyl 2,2-dimethylpropanoate (PubChem CID 82532408) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(butylamino)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(butylamino)ethyl 2,2-dimethylpropanoate
PubChem CID82532408
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(butylamino)ethyl 2,2-dimethylpropanoate
SMILESCCCCNCCOC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-7-12-8-9-14-10(13)11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyOWPUMPONQVPGJX-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl 2,2-dimethylpropanoate
CID 568514
undecyl 2,2-dimethylpropanoate;hydrochloride
CID 174740380
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339
2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate
CID 163539712
3-[(3-methoxy-3-oxopropyl)amino]propyl 2,2-dimethylpropanoate
CID 59031861
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
3-(butylamino)propyl acetate
CID 82532357
acetamide;N-butylbutan-1-amine
CID 172792447
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
2-(hexadecylamino)ethyl propanoate
CID 174467730
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82533439
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(butylamino)ethyl 2,2-dimethylpropanoate (CID 82532408) is 2-(butylamino)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(butylamino)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(butylamino)ethyl 2,2-dimethylpropanoate is CCCCNCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-(butylamino)ethyl 2,2-dimethylpropanoate?
The InChIKey is OWPUMPONQVPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-7-12-8-9-14-10(13)11(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of 2-(butylamino)ethyl 2,2-dimethylpropanoate?
2-(butylamino)ethyl 2,2-dimethylpropanoate has a molecular weight of 201.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 82532408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).