2-(1-aminobutylideneamino)-N-ethylacetamide

C8H17N3O — CID 63176040

IUPAC2-(1-aminobutylideneamino)-N-ethylacetamide
SMILESCCC/C(N)=N\CC(=O)NCC
InChIInChI=1S/C8H17N3O/c1-3-5-7(9)11-6-8(12)10-4-2/h3-6H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyNWLOAMVIBAVWPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds5

About 2-(1-aminobutylideneamino)-N-ethylacetamide

2-(1-aminobutylideneamino)-N-ethylacetamide (PubChem CID 63176040) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N-ethylacetamide
PubChem CID63176040
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminobutylideneamino)-N-ethylacetamide
SMILESCCC/C(N)=N\CC(=O)NCC
InChIInChI=1S/C8H17N3O/c1-3-5-7(9)11-6-8(12)10-4-2/h3-6H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyNWLOAMVIBAVWPA-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutylideneamino)-N-ethylacetamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N-ethylacetamide (CID 63176040) is 2-(1-aminobutylideneamino)-N-ethylacetamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N-ethylacetamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N-ethylacetamide is CCC/C(N)=N\CC(=O)NCC.
What is the InChIKey of 2-(1-aminobutylideneamino)-N-ethylacetamide?
The InChIKey is NWLOAMVIBAVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-5-7(9)11-6-8(12)10-4-2/h3-6H2,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 2-(1-aminobutylideneamino)-N-ethylacetamide?
2-(1-aminobutylideneamino)-N-ethylacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N-ethylacetamide is sourced from PubChem (CID 63176040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).