3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide

C9H19N3O — CID 106280332

IUPAC3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
SMILESCC/C(N)=N\CC(C)(C)C(=O)NC
InChIInChI=1S/C9H19N3O/c1-5-7(10)12-6-9(2,3)8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyGKWGHZDFLTZETD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds4

About 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide

3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide (PubChem CID 106280332) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
PubChem CID106280332
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
SMILESCC/C(N)=N\CC(C)(C)C(=O)NC
InChIInChI=1S/C9H19N3O/c1-5-7(10)12-6-9(2,3)8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyGKWGHZDFLTZETD-UHFFFAOYSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
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 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide (CID 106280332) is 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide is CC/C(N)=N\CC(C)(C)C(=O)NC.
What is the InChIKey of 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide?
The InChIKey is GKWGHZDFLTZETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-5-7(10)12-6-9(2,3)8(13)11-4/h5-6H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide?
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).