tert-butyl 2-(3-methylbutylideneamino)acetate

C11H21NO2 — CID 59249323

IUPACtert-butyl 2-(3-methylbutylideneamino)acetate
SMILESCC(C)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h7,9H,6,8H2,1-5H3/b12-7+
InChIKeyHFTXNXGVAINTEF-KPKJPENVSA-N
MW199.29 g/mol
LogP2.44
Rot. Bonds4

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

tert-butyl 2-(3-methylbutylideneamino)acetate (PubChem CID 59249323) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-(3-methylbutylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methylbutylideneamino)acetate
PubChem CID59249323
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-(3-methylbutylideneamino)acetate
SMILESCC(C)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h7,9H,6,8H2,1-5H3/b12-7+
InChIKeyHFTXNXGVAINTEF-KPKJPENVSA-N
XLogP2.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.44
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-(3-methylbutylideneamino)acetate?
The IUPAC name of tert-butyl 2-(3-methylbutylideneamino)acetate (CID 59249323) is tert-butyl 2-(3-methylbutylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(3-methylbutylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(3-methylbutylideneamino)acetate is CC(C)C/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methylbutylideneamino)acetate?
The InChIKey is HFTXNXGVAINTEF-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h7,9H,6,8H2,1-5H3/b12-7+.
What are the key properties of tert-butyl 2-(3-methylbutylideneamino)acetate?
tert-butyl 2-(3-methylbutylideneamino)acetate has a molecular weight of 199.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methylbutylideneamino)acetate is sourced from PubChem (CID 59249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).