4-butylimino-5,5-diethylfuran-2-amine

C12H22N2O — CID 15692040

IUPAC4-butylimino-5,5-diethylfuran-2-amine
SMILESCCCC/N=C1\C=C(N)OC1(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-8-14-10-9-11(13)15-12(10,5-2)6-3/h9H,4-8,13H2,1-3H3/b14-10+
InChIKeyYFHGCLUWVGNFHY-GXDHUFHOSA-N
MW210.32 g/mol
LogP2.62
Rot. Bonds5

About 4-butylimino-5,5-diethylfuran-2-amine

4-butylimino-5,5-diethylfuran-2-amine (PubChem CID 15692040) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-butylimino-5,5-diethylfuran-2-amine.

Molecular Properties

Compound Name4-butylimino-5,5-diethylfuran-2-amine
PubChem CID15692040
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-butylimino-5,5-diethylfuran-2-amine
SMILESCCCC/N=C1\C=C(N)OC1(CC)CC
InChIInChI=1S/C12H22N2O/c1-4-7-8-14-10-9-11(13)15-12(10,5-2)6-3/h9H,4-8,13H2,1-3H3/b14-10+
InChIKeyYFHGCLUWVGNFHY-GXDHUFHOSA-N
XLogP2.62
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-butylimino-5,5-diethylfuran-2-amine?
The IUPAC name of 4-butylimino-5,5-diethylfuran-2-amine (CID 15692040) is 4-butylimino-5,5-diethylfuran-2-amine.
What is the SMILES notation for 4-butylimino-5,5-diethylfuran-2-amine?
The canonical SMILES for 4-butylimino-5,5-diethylfuran-2-amine is CCCC/N=C1\C=C(N)OC1(CC)CC.
What is the InChIKey of 4-butylimino-5,5-diethylfuran-2-amine?
The InChIKey is YFHGCLUWVGNFHY-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-8-14-10-9-11(13)15-12(10,5-2)6-3/h9H,4-8,13H2,1-3H3/b14-10+.
What are the key properties of 4-butylimino-5,5-diethylfuran-2-amine?
4-butylimino-5,5-diethylfuran-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylimino-5,5-diethylfuran-2-amine is sourced from PubChem (CID 15692040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).