tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate

C14H25NO2 — CID 59249405

IUPACtert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC(C)(C)C1CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)10-15-9-8-14(4,5)11-6-7-11/h9,11H,6-8,10H2,1-5H3/b15-9+
InChIKeyHWTORJWBIDIZBA-OQLLNIDSSA-N
MW239.36 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate

tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate (PubChem CID 59249405) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate
PubChem CID59249405
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate
SMILESCC(C)(C)OC(=O)C/N=C/CC(C)(C)C1CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)10-15-9-8-14(4,5)11-6-7-11/h9,11H,6-8,10H2,1-5H3/b15-9+
InChIKeyHWTORJWBIDIZBA-OQLLNIDSSA-N
XLogP3.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.23
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-cyclopropyl-3-methylbutylidene)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate (CID 59249405) is tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate is CC(C)(C)OC(=O)C/N=C/CC(C)(C)C1CC1.
What is the InChIKey of tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate?
The InChIKey is HWTORJWBIDIZBA-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)17-12(16)10-15-9-8-14(4,5)11-6-7-11/h9,11H,6-8,10H2,1-5H3/b15-9+.
What are the key properties of tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate?
tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate has a molecular weight of 239.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetate is sourced from PubChem (CID 59249405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).