tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane

C15H33NO2 — CID 142238339

IUPACtert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane
SMILESC/C=N/C(C)C(=O)OC(C)(C)C.CC.CC(C)C
InChIInChI=1S/C9H17NO2.C4H10.C2H6/c1-6-10-7(2)8(11)12-9(3,4)5;1-4(2)3;1-2/h6-7H,1-5H3;4H,1-3H3;1-2H3/b10-6+;;
InChIKeyKUQXDDFCKMVIHA-DOLBFOAYSA-N
MW259.43 g/mol
LogP4.50
Rot. Bonds2

About tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane

tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane (PubChem CID 142238339) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane.

Molecular Properties

Compound Nametert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane
PubChem CID142238339
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nametert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane
SMILESC/C=N/C(C)C(=O)OC(C)(C)C.CC.CC(C)C
InChIInChI=1S/C9H17NO2.C4H10.C2H6/c1-6-10-7(2)8(11)12-9(3,4)5;1-4(2)3;1-2/h6-7H,1-5H3;4H,1-3H3;1-2H3/b10-6+;;
InChIKeyKUQXDDFCKMVIHA-DOLBFOAYSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane?
The IUPAC name of tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane (CID 142238339) is tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane.
What is the SMILES notation for tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane?
The canonical SMILES for tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane is C/C=N/C(C)C(=O)OC(C)(C)C.CC.CC(C)C.
What is the InChIKey of tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane?
The InChIKey is KUQXDDFCKMVIHA-DOLBFOAYSA-N. The full InChI is InChI=1S/C9H17NO2.C4H10.C2H6/c1-6-10-7(2)8(11)12-9(3,4)5;1-4(2)3;1-2/h6-7H,1-5H3;4H,1-3H3;1-2H3/b10-6+;;.
What are the key properties of tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane?
tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane has a molecular weight of 259.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(ethylideneamino)propanoate;ethane;2-methylpropane is sourced from PubChem (CID 142238339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).