tert-butyl 2-(2-methylpropylideneamino)acetate

C10H19NO2 — CID 59249628

IUPACtert-butyl 2-(2-methylpropylideneamino)acetate
SMILESCC(C)/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-7-9(12)13-10(3,4)5/h6,8H,7H2,1-5H3/b11-6+
InChIKeyAHYKMEWBRGDPJT-IZZDOVSWSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl 2-(2-methylpropylideneamino)acetate

tert-butyl 2-(2-methylpropylideneamino)acetate (PubChem CID 59249628) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropylideneamino)acetate
PubChem CID59249628
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 2-(2-methylpropylideneamino)acetate
SMILESCC(C)/C=N/CC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-7-9(12)13-10(3,4)5/h6,8H,7H2,1-5H3/b11-6+
InChIKeyAHYKMEWBRGDPJT-IZZDOVSWSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
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-(2-methylpropylideneamino)acetate?
The IUPAC name of tert-butyl 2-(2-methylpropylideneamino)acetate (CID 59249628) is tert-butyl 2-(2-methylpropylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-methylpropylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(2-methylpropylideneamino)acetate is CC(C)/C=N/CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropylideneamino)acetate?
The InChIKey is AHYKMEWBRGDPJT-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-11-7-9(12)13-10(3,4)5/h6,8H,7H2,1-5H3/b11-6+.
What are the key properties of tert-butyl 2-(2-methylpropylideneamino)acetate?
tert-butyl 2-(2-methylpropylideneamino)acetate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropylideneamino)acetate is sourced from PubChem (CID 59249628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).