2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide

C14H19N5O2 — CID 91929390

IUPAC2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide
SMILESC/N=C(/NCCNCc1ccc(COC)o1)C(C#N)C#N
InChIInChI=1S/C14H19N5O2/c1-17-14(11(7-15)8-16)19-6-5-18-9-12-3-4-13(21-12)10-20-2/h3-4,11,18H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyBJRCXGGODMLTGV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.80
Rot. Bonds8

About 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide

2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide (PubChem CID 91929390) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide.

Molecular Properties

Compound Name2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide
PubChem CID91929390
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide
SMILESC/N=C(/NCCNCc1ccc(COC)o1)C(C#N)C#N
InChIInChI=1S/C14H19N5O2/c1-17-14(11(7-15)8-16)19-6-5-18-9-12-3-4-13(21-12)10-20-2/h3-4,11,18H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyBJRCXGGODMLTGV-UHFFFAOYSA-N
XLogP0.80
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide?
The IUPAC name of 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide (CID 91929390) is 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide.
What is the SMILES notation for 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide?
The canonical SMILES for 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide is C/N=C(/NCCNCc1ccc(COC)o1)C(C#N)C#N.
What is the InChIKey of 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide?
The InChIKey is BJRCXGGODMLTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17-14(11(7-15)8-16)19-6-5-18-9-12-3-4-13(21-12)10-20-2/h3-4,11,18H,5-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide?
2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide has a molecular weight of 289.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyano-N-[2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethyl]-N'-methylethanimidamide is sourced from PubChem (CID 91929390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).