2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

C17H32N4O2 — CID 110036857

IUPAC2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCOC)CCC1
InChIInChI=1S/C17H32N4O2/c1-14(2)11-18-16(19-12-15(22)21(3)4)20-13-17(7-6-8-17)9-10-23-5/h1,6-13H2,2-5H3,(H2,18,19,20)
InChIKeyFIZFDSVCGVQIMO-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.39
Rot. Bonds9

About 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036857) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036857
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCOC)CCC1
InChIInChI=1S/C17H32N4O2/c1-14(2)11-18-16(19-12-15(22)21(3)4)20-13-17(7-6-8-17)9-10-23-5/h1,6-13H2,2-5H3,(H2,18,19,20)
InChIKeyFIZFDSVCGVQIMO-UHFFFAOYSA-N
XLogP1.39
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.39
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1-ethylcyclobutyl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043568
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033469
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033468
2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035934
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110045135
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874
2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110036391
2-[[[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047456
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034452
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111004092
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035029
2-[[[(1-ethylcyclobutyl)methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043590

Frequently Asked Questions

What is the IUPAC name of 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110036857) is 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCC1(CCOC)CCC1.
What is the InChIKey of 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is FIZFDSVCGVQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14(2)11-18-16(19-12-15(22)21(3)4)20-13-17(7-6-8-17)9-10-23-5/h1,6-13H2,2-5H3,(H2,18,19,20).
What are the key properties of 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 324.47 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).