3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide

C11H24N4O — CID 103822792

IUPAC3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-10(2,3)15-9(12)14-7-11(4,5)8(16)13-6/h7H2,1-6H3,(H,13,16)(H3,12,14,15)
InChIKeyRUWZPTHHYGPORW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds3

About 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide

3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 103822792) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID103822792
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H24N4O/c1-10(2,3)15-9(12)14-7-11(4,5)8(16)13-6/h7H2,1-6H3,(H,13,16)(H3,12,14,15)
InChIKeyRUWZPTHHYGPORW-UHFFFAOYSA-N
XLogP0.46
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[amino-(tert-butylamino)methylidene]amino]-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

Related Compounds

3-[[Ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 109472545
N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109472754
N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109472755
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 109474238
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 109474239
N-[N'-[3-(2,2-dimethylpropylamino)propyl]carbamimidoyl]acetamide
CID 90210167
N-[4-[[amino-(tert-butylamino)methylidene]amino]butyl]acetamide
CID 162769149
N-[3-[[amino-(tert-butylamino)methylidene]amino]propyl]acetamide
CID 162769151
2,2-dimethyl-N-[N'-[1-(methylamino)ethyl]-N-propan-2-ylcarbamimidoyl]propanamide
CID 173834327
2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
CID 45084427
3-[[amino-(butan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53541625
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 53573589

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide (CID 103822792) is 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C/N=C(\N)NC(C)(C)C.
What is the InChIKey of 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is RUWZPTHHYGPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2,3)15-9(12)14-7-11(4,5)8(16)13-6/h7H2,1-6H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(tert-butylamino)methylidene]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).