methyl 2-(3-methylbutylideneamino)acetate

C8H15NO2 — CID 87096444

IUPACmethyl 2-(3-methylbutylideneamino)acetate
SMILESCOC(=O)C/N=C/CC(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)4-5-9-6-8(10)11-3/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyNIILYTSLPHZDBM-WEVVVXLNSA-N
MW157.21 g/mol
LogP1.28
Rot. Bonds4

About methyl 2-(3-methylbutylideneamino)acetate

methyl 2-(3-methylbutylideneamino)acetate (PubChem CID 87096444) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(3-methylbutylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methylbutylideneamino)acetate
PubChem CID87096444
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(3-methylbutylideneamino)acetate
SMILESCOC(=O)C/N=C/CC(C)C
InChIInChI=1S/C8H15NO2/c1-7(2)4-5-9-6-8(10)11-3/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyNIILYTSLPHZDBM-WEVVVXLNSA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.28
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 methyl 2-(3-methylbutylideneamino)acetate?
The IUPAC name of methyl 2-(3-methylbutylideneamino)acetate (CID 87096444) is methyl 2-(3-methylbutylideneamino)acetate.
What is the SMILES notation for methyl 2-(3-methylbutylideneamino)acetate?
The canonical SMILES for methyl 2-(3-methylbutylideneamino)acetate is COC(=O)C/N=C/CC(C)C.
What is the InChIKey of methyl 2-(3-methylbutylideneamino)acetate?
The InChIKey is NIILYTSLPHZDBM-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)4-5-9-6-8(10)11-3/h5,7H,4,6H2,1-3H3/b9-5+.
What are the key properties of methyl 2-(3-methylbutylideneamino)acetate?
methyl 2-(3-methylbutylideneamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylbutylideneamino)acetate is sourced from PubChem (CID 87096444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).