3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide

C10H21N3O — CID 123147049

IUPAC3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide
SMILESCCC(C)/C(N)=N/CCC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-5-8(2)10(11)12-7-6-9(14)13(3)4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyHYPMWGQGELTEJA-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds5

About 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide

3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide (PubChem CID 123147049) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide
PubChem CID123147049
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide
SMILESCCC(C)/C(N)=N/CCC(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-5-8(2)10(11)12-7-6-9(14)13(3)4/h8H,5-7H2,1-4H3,(H2,11,12)
InChIKeyHYPMWGQGELTEJA-UHFFFAOYSA-N
XLogP0.87
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide (CID 123147049) is 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide is CCC(C)/C(N)=N/CCC(=O)N(C)C.
What is the InChIKey of 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide?
The InChIKey is HYPMWGQGELTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-8(2)10(11)12-7-6-9(14)13(3)4/h8H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide?
3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide has a molecular weight of 199.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylbutylidene)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 123147049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).