tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate

C14H27NO2 — CID 59249657

IUPACtert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate
SMILESCCC(C)(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(6,8-2)9-10-15-11-12(16)17-13(3,4)5/h10H,7-9,11H2,1-6H3/b15-10+
InChIKeyDQUPMPZAXOAWIE-XNTDXEJSSA-N
MW241.37 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate

tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate (PubChem CID 59249657) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate
PubChem CID59249657
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate
SMILESCCC(C)(CC)C/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-14(6,8-2)9-10-15-11-12(16)17-13(3,4)5/h10H,7-9,11H2,1-6H3/b15-10+
InChIKeyDQUPMPZAXOAWIE-XNTDXEJSSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate (CID 59249657) is tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate is CCC(C)(CC)C/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate?
The InChIKey is DQUPMPZAXOAWIE-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-14(6,8-2)9-10-15-11-12(16)17-13(3,4)5/h10H,7-9,11H2,1-6H3/b15-10+.
What are the key properties of tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate?
tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate has a molecular weight of 241.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-ethyl-3-methylpentylidene)amino]acetate is sourced from PubChem (CID 59249657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).