1-(furan-2-yl)-N-(2-methylbutyl)methanimine

C10H15NO — CID 146684647

IUPAC1-(furan-2-yl)-N-(2-methylbutyl)methanimine
SMILESCCC(C)C/N=C/c1ccco1
InChIInChI=1S/C10H15NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,8-9H,3,7H2,1-2H3/b11-8+
InChIKeyHPILMLONEMFDOP-DHZHZOJOSA-N
MW165.24 g/mol
LogP2.74
Rot. Bonds4

About 1-(furan-2-yl)-N-(2-methylbutyl)methanimine

1-(furan-2-yl)-N-(2-methylbutyl)methanimine (PubChem CID 146684647) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2-methylbutyl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2-methylbutyl)methanimine
PubChem CID146684647
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(furan-2-yl)-N-(2-methylbutyl)methanimine
SMILESCCC(C)C/N=C/c1ccco1
InChIInChI=1S/C10H15NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,8-9H,3,7H2,1-2H3/b11-8+
InChIKeyHPILMLONEMFDOP-DHZHZOJOSA-N
XLogP2.74
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-methylbutyl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(2-methylbutyl)methanimine (CID 146684647) is 1-(furan-2-yl)-N-(2-methylbutyl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2-methylbutyl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(2-methylbutyl)methanimine is CCC(C)C/N=C/c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(2-methylbutyl)methanimine?
The InChIKey is HPILMLONEMFDOP-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9(2)7-11-8-10-5-4-6-12-10/h4-6,8-9H,3,7H2,1-2H3/b11-8+.
What are the key properties of 1-(furan-2-yl)-N-(2-methylbutyl)methanimine?
1-(furan-2-yl)-N-(2-methylbutyl)methanimine has a molecular weight of 165.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(2-methylbutyl)methanimine is sourced from PubChem (CID 146684647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).