2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide

C9H19N3O — CID 63177959

IUPAC2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide
SMILESCC(/N=C(/N)C(C)C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-6(2)8(10)11-7(3)9(13)12(4)5/h6-7H,1-5H3,(H2,10,11)
InChIKeyLXGOZJANHWBXLC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds3

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

2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide (PubChem CID 63177959) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide
PubChem CID63177959
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide
SMILESCC(/N=C(/N)C(C)C)C(=O)N(C)C
InChIInChI=1S/C9H19N3O/c1-6(2)8(10)11-7(3)9(13)12(4)5/h6-7H,1-5H3,(H2,10,11)
InChIKeyLXGOZJANHWBXLC-UHFFFAOYSA-N
XLogP0.48
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
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'}

Analyze 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide (CID 63177959) is 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide is CC(/N=C(/N)C(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide?
The InChIKey is LXGOZJANHWBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)8(10)11-7(3)9(13)12(4)5/h6-7H,1-5H3,(H2,10,11).
What are the key properties of 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide?
2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63177959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).