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

C9H13NO — CID 11094807

IUPACN-butyl-1-(furan-2-yl)methanimine
SMILESCCCC/N=C/c1ccco1
InChIInChI=1S/C9H13NO/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+
InChIKeyWYLOSHOUAVJYPF-CSKARUKUSA-N
MW151.21 g/mol
LogP2.50
Rot. Bonds4

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

N-butyl-1-(furan-2-yl)methanimine (PubChem CID 11094807) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-butyl-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(furan-2-yl)methanimine
PubChem CID11094807
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-butyl-1-(furan-2-yl)methanimine
SMILESCCCC/N=C/c1ccco1
InChIInChI=1S/C9H13NO/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+
InChIKeyWYLOSHOUAVJYPF-CSKARUKUSA-N
XLogP2.50
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-butyl-1-(furan-2-yl)methanimine?
The IUPAC name of N-butyl-1-(furan-2-yl)methanimine (CID 11094807) is N-butyl-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-butyl-1-(furan-2-yl)methanimine?
The canonical SMILES for N-butyl-1-(furan-2-yl)methanimine is CCCC/N=C/c1ccco1.
What is the InChIKey of N-butyl-1-(furan-2-yl)methanimine?
The InChIKey is WYLOSHOUAVJYPF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+.
What are the key properties of N-butyl-1-(furan-2-yl)methanimine?
N-butyl-1-(furan-2-yl)methanimine has a molecular weight of 151.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(furan-2-yl)methanimine is sourced from PubChem (CID 11094807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).