2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide

C14H24N4O2 — CID 110048597

IUPAC2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccoc1C
InChIInChI=1S/C14H24N4O2/c1-6-15-14(16-9-13(19)17(3)4)18(5)10-12-7-8-20-11(12)2/h7-8H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyBXGZSEFINGAPAM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds5

About 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110048597) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110048597
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccoc1C
InChIInChI=1S/C14H24N4O2/c1-6-15-14(16-9-13(19)17(3)4)18(5)10-12-7-8-20-11(12)2/h7-8H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyBXGZSEFINGAPAM-UHFFFAOYSA-N
XLogP1.07
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110048597) is 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)N(C)Cc1ccoc1C.
What is the InChIKey of 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is BXGZSEFINGAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-15-14(16-9-13(19)17(3)4)18(5)10-12-7-8-20-11(12)2/h7-8H,6,9-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110048597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).