[(E)-[amino-(dioctylamino)methylidene]amino] acetate

C19H39N3O2 — CID 141045038

IUPAC[(E)-[amino-(dioctylamino)methylidene]amino] acetate
SMILESCCCCCCCCN(CCCCCCCC)/C(N)=N/OC(C)=O
InChIInChI=1S/C19H39N3O2/c1-4-6-8-10-12-14-16-22(19(20)21-24-18(3)23)17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H2,20,21)
InChIKeyYITKXWYUULSVRV-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.80
Rot. Bonds15

About [(E)-[amino-(dioctylamino)methylidene]amino] acetate

[(E)-[amino-(dioctylamino)methylidene]amino] acetate (PubChem CID 141045038) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is [(E)-[amino-(dioctylamino)methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[amino-(dioctylamino)methylidene]amino] acetate
PubChem CID141045038
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name[(E)-[amino-(dioctylamino)methylidene]amino] acetate
SMILESCCCCCCCCN(CCCCCCCC)/C(N)=N/OC(C)=O
InChIInChI=1S/C19H39N3O2/c1-4-6-8-10-12-14-16-22(19(20)21-24-18(3)23)17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H2,20,21)
InChIKeyYITKXWYUULSVRV-UHFFFAOYSA-N
XLogP4.80
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[amino-(dioctylamino)methylidene]amino] 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

1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-butyl-1-dodecylurea
CID 168918855
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
[(E)-nonan-2-ylideneamino] acetate
CID 87079098
5-[[amino-(dioctadecylamino)methylidene]amino]pentanamide
CID 139836174
[dodecyl-(N'-methylcarbamimidoyl)amino] acetate
CID 57015324
N',N'-dioctadecyloxamide
CID 54497742
N-butyl-N-heptylacetamide
CID 91713167
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(dioctylamino)methylidene]amino] acetate?
The IUPAC name of [(E)-[amino-(dioctylamino)methylidene]amino] acetate (CID 141045038) is [(E)-[amino-(dioctylamino)methylidene]amino] acetate.
What is the SMILES notation for [(E)-[amino-(dioctylamino)methylidene]amino] acetate?
The canonical SMILES for [(E)-[amino-(dioctylamino)methylidene]amino] acetate is CCCCCCCCN(CCCCCCCC)/C(N)=N/OC(C)=O.
What is the InChIKey of [(E)-[amino-(dioctylamino)methylidene]amino] acetate?
The InChIKey is YITKXWYUULSVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-4-6-8-10-12-14-16-22(19(20)21-24-18(3)23)17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H2,20,21).
What are the key properties of [(E)-[amino-(dioctylamino)methylidene]amino] acetate?
[(E)-[amino-(dioctylamino)methylidene]amino] acetate has a molecular weight of 341.54 g/mol, XLogP of 4.80, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(dioctylamino)methylidene]amino] acetate is sourced from PubChem (CID 141045038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).