2-(1-aminobutylideneamino)-2-methylpropanamide

C8H17N3O — CID 63178131

IUPAC2-(1-aminobutylideneamino)-2-methylpropanamide
SMILESCCC/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-4-5-6(9)11-8(2,3)7(10)12/h4-5H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHTOHMLBZLIWYID-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.41
Rot. Bonds4

About 2-(1-aminobutylideneamino)-2-methylpropanamide

2-(1-aminobutylideneamino)-2-methylpropanamide (PubChem CID 63178131) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-2-methylpropanamide
PubChem CID63178131
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminobutylideneamino)-2-methylpropanamide
SMILESCCC/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O/c1-4-5-6(9)11-8(2,3)7(10)12/h4-5H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHTOHMLBZLIWYID-UHFFFAOYSA-N
XLogP0.41
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.41
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)-2-methylpropanamide?
The IUPAC name of 2-(1-aminobutylideneamino)-2-methylpropanamide (CID 63178131) is 2-(1-aminobutylideneamino)-2-methylpropanamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-2-methylpropanamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-2-methylpropanamide is CCC/C(N)=N\C(C)(C)C(N)=O.
What is the InChIKey of 2-(1-aminobutylideneamino)-2-methylpropanamide?
The InChIKey is HTOHMLBZLIWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-5-6(9)11-8(2,3)7(10)12/h4-5H2,1-3H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-(1-aminobutylideneamino)-2-methylpropanamide?
2-(1-aminobutylideneamino)-2-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-2-methylpropanamide is sourced from PubChem (CID 63178131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).