2-(1-aminobutylideneamino)-N,N-dimethylpropanamide

C9H19N3O — CID 63177902

IUPAC2-(1-aminobutylideneamino)-N,N-dimethylpropanamide
SMILESCCC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-5-6-8(10)11-7(2)9(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyPYTUIGRDCKGQLA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.62
Rot. Bonds4

About 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide

2-(1-aminobutylideneamino)-N,N-dimethylpropanamide (PubChem CID 63177902) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N,N-dimethylpropanamide
PubChem CID63177902
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(1-aminobutylideneamino)-N,N-dimethylpropanamide
SMILESCCC/C(N)=N\C(C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-5-6-8(10)11-7(2)9(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyPYTUIGRDCKGQLA-UHFFFAOYSA-N
XLogP0.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide (CID 63177902) is 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide is CCC/C(N)=N\C(C)C(=O)N(C)C.
What is the InChIKey of 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide?
The InChIKey is PYTUIGRDCKGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5-6-8(10)11-7(2)9(13)12(3)4/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide?
2-(1-aminobutylideneamino)-N,N-dimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63177902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).