tert-butyl 2-(3-ethylhexylideneamino)acetate

C14H27NO2 — CID 143958776

IUPACtert-butyl 2-(3-ethylhexylideneamino)acetate
SMILESCCCC(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-12(7-2)9-10-15-11-13(16)17-14(3,4)5/h10,12H,6-9,11H2,1-5H3/b15-10+
InChIKeyMPZFNFDQABSIGA-XNTDXEJSSA-N
MW241.37 g/mol
LogP3.62
Rot. Bonds7

About tert-butyl 2-(3-ethylhexylideneamino)acetate

tert-butyl 2-(3-ethylhexylideneamino)acetate (PubChem CID 143958776) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-(3-ethylhexylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethylhexylideneamino)acetate
PubChem CID143958776
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-(3-ethylhexylideneamino)acetate
SMILESCCCC(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-6-8-12(7-2)9-10-15-11-13(16)17-14(3,4)5/h10,12H,6-9,11H2,1-5H3/b15-10+
InChIKeyMPZFNFDQABSIGA-XNTDXEJSSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-(cyclohexylmethylideneamino)acetate
CID 11480853
Ethyl 2-(2-ethylhexylideneamino)acetate
CID 132471480
{[1-Cyclohexyl-meth-(e)-ylidene]-amino}-acetic acid tert-butyl ester
CID 19709583
[3,3-Diethyl-pent-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249243
[3-Methyl-but-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249323
[2-Cyclohexyl-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249324
[3,3,4-Trimethyl-pent-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249337
[2-(1-Methyl-cyclohexyl)-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249351
[3-Cyclopropyl-3-methyl-but-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249405
(E)-tert-butyl 2-(3,3-dimethylbutylideneamino)acetate
CID 59249587
[2-Cyclopentyl-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249602
[2-Ethyl-but-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249625

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethylhexylideneamino)acetate?
The IUPAC name of tert-butyl 2-(3-ethylhexylideneamino)acetate (CID 143958776) is tert-butyl 2-(3-ethylhexylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethylhexylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(3-ethylhexylideneamino)acetate is CCCC(CC)C/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-ethylhexylideneamino)acetate?
The InChIKey is MPZFNFDQABSIGA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-12(7-2)9-10-15-11-13(16)17-14(3,4)5/h10,12H,6-9,11H2,1-5H3/b15-10+.
What are the key properties of tert-butyl 2-(3-ethylhexylideneamino)acetate?
tert-butyl 2-(3-ethylhexylideneamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethylhexylideneamino)acetate is sourced from PubChem (CID 143958776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).