2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C12H26N4O2 — CID 111607167

IUPAC2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)OC
InChIInChI=1S/C12H26N4O2/c1-7-13-11(14-8-10(17)16(4)5)15-9-12(2,3)18-6/h7-9H2,1-6H3,(H2,13,14,15)
InChIKeyAYOBZESIZWWZBV-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.05
Rot. Bonds6

About 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111607167) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111607167
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)OC
InChIInChI=1S/C12H26N4O2/c1-7-13-11(14-8-10(17)16(4)5)15-9-12(2,3)18-6/h7-9H2,1-6H3,(H2,13,14,15)
InChIKeyAYOBZESIZWWZBV-UHFFFAOYSA-N
XLogP0.05
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[(3-ethoxypropylamino)-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111607598
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
N-cyclohexyl-2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]acetamide
CID 111605945
2-[[ethylamino-[[2-(4-fluorophenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364028
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
2-[[(2-cyclohexylethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111363873
2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035328
2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365359
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083
2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365322
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111606575
2-[[[[2-(3-chlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365320

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111607167) is 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCC(C)(C)OC.
What is the InChIKey of 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is AYOBZESIZWWZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-7-13-11(14-8-10(17)16(4)5)15-9-12(2,3)18-6/h7-9H2,1-6H3,(H2,13,14,15).
What are the key properties of 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 258.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111607167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).