2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide

C9H20N4O — CID 62363805

IUPAC2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide
SMILESCC(C)N/C(N)=N/C(C)C(=O)N(C)C
InChIInChI=1S/C9H20N4O/c1-6(2)11-9(10)12-7(3)8(14)13(4)5/h6-7H,1-5H3,(H3,10,11,12)
InChIKeyOWWFGLCBJYIUEC-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.22
Rot. Bonds3

About 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide

2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 62363805) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide
PubChem CID62363805
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide
SMILESCC(C)N/C(N)=N/C(C)C(=O)N(C)C
InChIInChI=1S/C9H20N4O/c1-6(2)11-9(10)12-7(3)8(14)13(4)5/h6-7H,1-5H3,(H3,10,11,12)
InChIKeyOWWFGLCBJYIUEC-UHFFFAOYSA-N
XLogP-0.22
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.22
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-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide (CID 62363805) is 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide is CC(C)N/C(N)=N/C(C)C(=O)N(C)C.
What is the InChIKey of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is OWWFGLCBJYIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-6(2)11-9(10)12-7(3)8(14)13(4)5/h6-7H,1-5H3,(H3,10,11,12).
What are the key properties of 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide?
2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62363805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).