3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide

C11H22N4O — CID 110982887

IUPAC3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESC=CCN/C(=N/CC(C)(C)C(N)=O)NCC
InChIInChI=1S/C11H22N4O/c1-5-7-14-10(13-6-2)15-8-11(3,4)9(12)16/h5H,1,6-8H2,2-4H3,(H2,12,16)(H2,13,14,15)
InChIKeyVEWGEFRNSAGRDD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.24
Rot. Bonds6

About 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 110982887) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID110982887
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESC=CCN/C(=N/CC(C)(C)C(N)=O)NCC
InChIInChI=1S/C11H22N4O/c1-5-7-14-10(13-6-2)15-8-11(3,4)9(12)16/h5H,1,6-8H2,2-4H3,(H2,12,16)(H2,13,14,15)
InChIKeyVEWGEFRNSAGRDD-UHFFFAOYSA-N
XLogP0.24
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.24
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-prop-2-enylguanidine
CID 111609594
3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111344172
3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111963333
tert-butyl N-[3-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111771019
2-(3,3-dimethylbutyl)-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925989
3-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111947123
3-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 111400881
3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111649324

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 110982887) is 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide is C=CCN/C(=N/CC(C)(C)C(N)=O)NCC.
What is the InChIKey of 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is VEWGEFRNSAGRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-7-14-10(13-6-2)15-8-11(3,4)9(12)16/h5H,1,6-8H2,2-4H3,(H2,12,16)(H2,13,14,15).
What are the key properties of 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 110982887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).