1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine

C16H20N2O2 — CID 28480

IUPAC1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine
SMILESC(=N/CCCCCC/N=C/c1ccco1)\c1ccco1
InChIInChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2/b17-13+,18-14+
InChIKeyLMXJMWBWWSFMLA-HBKJEHTGSA-N
MW272.35 g/mol
LogP3.97
Rot. Bonds9

About 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine

1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine (PubChem CID 28480) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine
PubChem CID28480
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine
SMILESC(=N/CCCCCC/N=C/c1ccco1)\c1ccco1
InChIInChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2/b17-13+,18-14+
InChIKeyLMXJMWBWWSFMLA-HBKJEHTGSA-N
XLogP3.97
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine (CID 28480) is 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine is C(=N/CCCCCC/N=C/c1ccco1)\c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine?
The InChIKey is LMXJMWBWWSFMLA-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2/b17-13+,18-14+.
What are the key properties of 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine?
1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine has a molecular weight of 272.35 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine is sourced from PubChem (CID 28480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).