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

C11H24N4O — CID 111124041

IUPAC3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC(C)C
InChIInChI=1S/C11H24N4O/c1-6-13-10(15-8(2)3)14-7-11(4,5)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16)(H2,13,14,15)
InChIKeyNBZSEIOHHXLZRO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds5

About 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111124041) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111124041
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC(C)C
InChIInChI=1S/C11H24N4O/c1-6-13-10(15-8(2)3)14-7-11(4,5)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16)(H2,13,14,15)
InChIKeyNBZSEIOHHXLZRO-UHFFFAOYSA-N
XLogP0.46
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide 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;hydroiodide
CID 109472544
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
CID 109472755
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 109474239
N-(2,6-dimethyl-2,5,6,7-tetrahydro-1H-1,3,5-triazepin-4-yl)-2,2-dimethylpropanamide
CID 126620244
2,2-dimethyl-N-[N'-[1-(methylamino)ethyl]-N-propan-2-ylcarbamimidoyl]propanamide
CID 173834327
Acetamide,N-[bis[(isopropyl)amino]methylene]-
CID 45119258
3-[[amino-(butan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53541625
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide
CID 53573590
3-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 53598338
3-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53598339
3-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53619325

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 111124041) is 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)NC(C)C.
What is the InChIKey of 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is NBZSEIOHHXLZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-6-13-10(15-8(2)3)14-7-11(4,5)9(12)16/h8H,6-7H2,1-5H3,(H2,12,16)(H2,13,14,15).
What are the key properties of 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111124041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).