N'-methylpropanimidamide;N,2,2-trimethylpropanamide

C10H23N3O — CID 159369592

IUPACN'-methylpropanimidamide;N,2,2-trimethylpropanamide
SMILESCC/C(N)=N\C.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C4H10N2/c1-6(2,3)5(8)7-4;1-3-4(5)6-2/h1-4H3,(H,7,8);3H2,1-2H3,(H2,5,6)
InChIKeyLJOORYLQSRFDFM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds1

About N'-methylpropanimidamide;N,2,2-trimethylpropanamide

N'-methylpropanimidamide;N,2,2-trimethylpropanamide (PubChem CID 159369592) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-methylpropanimidamide;N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN'-methylpropanimidamide;N,2,2-trimethylpropanamide
PubChem CID159369592
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-methylpropanimidamide;N,2,2-trimethylpropanamide
SMILESCC/C(N)=N\C.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C4H10N2/c1-6(2,3)5(8)7-4;1-3-4(5)6-2/h1-4H3,(H,7,8);3H2,1-2H3,(H2,5,6)
InChIKeyLJOORYLQSRFDFM-UHFFFAOYSA-N
XLogP1.16
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
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'}

Analyze N'-methylpropanimidamide;N,2,2-trimethylpropanamide 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 N'-methylpropanimidamide;N,2,2-trimethylpropanamide?
The IUPAC name of N'-methylpropanimidamide;N,2,2-trimethylpropanamide (CID 159369592) is N'-methylpropanimidamide;N,2,2-trimethylpropanamide.
What is the SMILES notation for N'-methylpropanimidamide;N,2,2-trimethylpropanamide?
The canonical SMILES for N'-methylpropanimidamide;N,2,2-trimethylpropanamide is CC/C(N)=N\C.CNC(=O)C(C)(C)C.
What is the InChIKey of N'-methylpropanimidamide;N,2,2-trimethylpropanamide?
The InChIKey is LJOORYLQSRFDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H10N2/c1-6(2,3)5(8)7-4;1-3-4(5)6-2/h1-4H3,(H,7,8);3H2,1-2H3,(H2,5,6).
What are the key properties of N'-methylpropanimidamide;N,2,2-trimethylpropanamide?
N'-methylpropanimidamide;N,2,2-trimethylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylpropanimidamide;N,2,2-trimethylpropanamide is sourced from PubChem (CID 159369592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).