propan-2-yl 2-(propan-2-ylideneamino)acetate

C8H15NO2 — CID 158056343

IUPACpropan-2-yl 2-(propan-2-ylideneamino)acetate
SMILESCC(C)=NCC(=O)OC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-5-8(10)11-7(3)4/h7H,5H2,1-4H3
InChIKeyNCQFLYSTPDPJEB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.42
Rot. Bonds3

About propan-2-yl 2-(propan-2-ylideneamino)acetate

propan-2-yl 2-(propan-2-ylideneamino)acetate (PubChem CID 158056343) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propan-2-yl 2-(propan-2-ylideneamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(propan-2-ylideneamino)acetate
PubChem CID158056343
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropan-2-yl 2-(propan-2-ylideneamino)acetate
SMILESCC(C)=NCC(=O)OC(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-5-8(10)11-7(3)4/h7H,5H2,1-4H3
InChIKeyNCQFLYSTPDPJEB-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze propan-2-yl 2-(propan-2-ylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(1-ethoxyethylideneamino)acetate
CID 295983
Methyl[(1-ethoxyethylidene)amino]acetate
CID 10986527
Ethyl 2-(propan-2-yloxymethylideneamino)acetate
CID 13549694
Ethyl 2-[(1-methoxyethylidene) amino]acetate
CID 132281819
Methyl 2-(propan-2-ylideneamino)acetate
CID 11829458
Ethyl 2-(propan-2-ylideneamino)acetate
CID 21016696
Propan-2-yl 2-(methylideneamino)acetate
CID 23137659
Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
Propan-2-yl N-(oxomethylidene)glycinate
CID 28505671
Ethyl 2-(1-ethoxypropylideneamino)acetate
CID 53733028
Butan-2-yl 2-isocyanatoacetate
CID 56606561
N-methylpropan-2-imine;propan-2-yl acetate
CID 91201865

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(propan-2-ylideneamino)acetate?
The IUPAC name of propan-2-yl 2-(propan-2-ylideneamino)acetate (CID 158056343) is propan-2-yl 2-(propan-2-ylideneamino)acetate.
What is the SMILES notation for propan-2-yl 2-(propan-2-ylideneamino)acetate?
The canonical SMILES for propan-2-yl 2-(propan-2-ylideneamino)acetate is CC(C)=NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(propan-2-ylideneamino)acetate?
The InChIKey is NCQFLYSTPDPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-5-8(10)11-7(3)4/h7H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-(propan-2-ylideneamino)acetate?
propan-2-yl 2-(propan-2-ylideneamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(propan-2-ylideneamino)acetate is sourced from PubChem (CID 158056343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).