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

C9H20N4O — CID 103822795

IUPAC3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCN/C(N)=N/CC(C)(C)C(=O)NC
InChIInChI=1S/C9H20N4O/c1-5-12-8(10)13-6-9(2,3)7(14)11-4/h5-6H2,1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyAKXJCHSJJRUSNA-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.32
Rot. Bonds4

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

3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 103822795) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID103822795
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCN/C(N)=N/CC(C)(C)C(=O)NC
InChIInChI=1S/C9H20N4O/c1-5-12-8(10)13-6-9(2,3)7(14)11-4/h5-6H2,1-4H3,(H,11,14)(H3,10,12,13)
InChIKeyAKXJCHSJJRUSNA-UHFFFAOYSA-N
XLogP-0.32
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.32
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'}

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Related Compounds

3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280285
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 110031718
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
3-[[amino(ethylamino)methylidene]amino]propanamide
CID 62361753
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
CID 110031724
2-(aminomethyl)-1-ethylguanidine
CID 123525556
3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280948
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide
CID 109385439

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide (CID 103822795) is 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide is CCN/C(N)=N/CC(C)(C)C(=O)NC.
What is the InChIKey of 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is AKXJCHSJJRUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-5-12-8(10)13-6-9(2,3)7(14)11-4/h5-6H2,1-4H3,(H,11,14)(H3,10,12,13).
What are the key properties of 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).