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

C10H22N4O — CID 110920182

IUPAC3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCC(C)N/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-5-7(2)14-9(12)13-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14)
InChIKeyQVQBMMDJIQXWNZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds5

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

3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 110920182) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID110920182
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCC(C)N/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-5-7(2)14-9(12)13-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14)
InChIKeyQVQBMMDJIQXWNZ-UHFFFAOYSA-N
XLogP0.20
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
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-(butan-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-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
CID 23590357
N-[N'-[3-(2,2-dimethylpropylamino)propyl]carbamimidoyl]acetamide
CID 90210167
N-(diaminomethylidene)-3-(2,2-dimethylpropylamino)propanamide
CID 90210169
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
3-[[amino-(butan-2-ylamino)methylidene]amino]-N,N-diethylpropanamide
CID 53541625
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 53573589
3-[[amino-(tert-butylamino)methylidene]amino]-N-propylpropanamide
CID 53573590

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 110920182) is 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide is CCC(C)N/C(N)=N/CC(C)(C)C(N)=O.
What is the InChIKey of 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is QVQBMMDJIQXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-5-7(2)14-9(12)13-6-10(3,4)8(11)15/h7H,5-6H2,1-4H3,(H2,11,15)(H3,12,13,14).
What are the key properties of 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 110920182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).