N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide

C15H28N4O — CID 110043135

IUPACN,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H28N4O/c1-8-9-16-13(17-10-12(20)18(6)7)19-11-14(2,3)15(19,4)5/h8H,1,9-11H2,2-7H3,(H,16,17)
InChIKeyUAVYLJCIXYDOIY-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.33
Rot. Bonds4

About N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide (PubChem CID 110043135) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
PubChem CID110043135
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H28N4O/c1-8-9-16-13(17-10-12(20)18(6)7)19-11-14(2,3)15(19,4)5/h8H,1,9-11H2,2-7H3,(H,16,17)
InChIKeyUAVYLJCIXYDOIY-UHFFFAOYSA-N
XLogP1.33
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
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

N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
CID 110043137
2-[[6-azaspiro[3.4]octan-6-yl-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046960
ethyl 4-[N'-[2-(dimethylamino)-2-oxoethyl]-N-prop-2-enylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162997
2-[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043015
N,N-dimethyl-2-[[[(1-methylcycloheptyl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110036202
2-[[N-benzyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110043101
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111166625
N,N-dimethyl-2-[[(2-piperidin-1-ylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111364813
N,N-dimethyl-2-[[(prop-2-enylamino)-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110041878
2-[[(cyclopentylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110991975
N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110046837
N-ethyl-2,2,3,3-tetramethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide (CID 110043135) is N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide is C=CCN/C(=N\CC(=O)N(C)C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The InChIKey is UAVYLJCIXYDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-8-9-16-13(17-10-12(20)18(6)7)19-11-14(2,3)15(19,4)5/h8H,1,9-11H2,2-7H3,(H,16,17).
What are the key properties of N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide has a molecular weight of 280.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 110043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).