3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide

C10H22N4O — CID 110916054

IUPAC3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
SMILESCCNC(=NCC(C)(C)C(N)=O)NCC
InChIInChI=1S/C10H22N4O/c1-5-12-9(13-6-2)14-7-10(3,4)8(11)15/h5-7H2,1-4H3,(H2,11,15)(H2,12,13,14)
InChIKeyZTDUACUWCBCNCN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.07
Rot. Bonds5

About 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide

3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide (PubChem CID 110916054) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
PubChem CID110916054
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
SMILESCCNC(=NCC(C)(C)C(N)=O)NCC
InChIInChI=1S/C10H22N4O/c1-5-12-9(13-6-2)14-7-10(3,4)8(11)15/h5-7H2,1-4H3,(H2,11,15)(H2,12,13,14)
InChIKeyZTDUACUWCBCNCN-UHFFFAOYSA-N
XLogP0.07
TPSA79.51 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 ≤ 50.07
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-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
3-[[ethylamino-(prop-2-enylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110982887
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
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
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
3-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111136768
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111214297

Frequently Asked Questions

What is the IUPAC name of 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide (CID 110916054) is 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide is CCNC(=NCC(C)(C)C(N)=O)NCC.
What is the InChIKey of 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide?
The InChIKey is ZTDUACUWCBCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-5-12-9(13-6-2)14-7-10(3,4)8(11)15/h5-7H2,1-4H3,(H2,11,15)(H2,12,13,14).
What are the key properties of 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide?
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 110916054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).