N-benzyl-1-(furan-2-yl)but-3-en-1-amine

C15H17NO — CID 2818344

IUPACN-benzyl-1-(furan-2-yl)but-3-en-1-amine
SMILESC=CCC(NCc1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14,16H,1,7,12H2
InChIKeyWXPYPAIHLJNYIN-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.69
Rot. Bonds6

About N-benzyl-1-(furan-2-yl)but-3-en-1-amine

N-benzyl-1-(furan-2-yl)but-3-en-1-amine (PubChem CID 2818344) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-1-(furan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(furan-2-yl)but-3-en-1-amine
PubChem CID2818344
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-1-(furan-2-yl)but-3-en-1-amine
SMILESC=CCC(NCc1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14,16H,1,7,12H2
InChIKeyWXPYPAIHLJNYIN-UHFFFAOYSA-N
XLogP3.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(furan-2-yl)but-3-en-1-amine?
The IUPAC name of N-benzyl-1-(furan-2-yl)but-3-en-1-amine (CID 2818344) is N-benzyl-1-(furan-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-benzyl-1-(furan-2-yl)but-3-en-1-amine?
The canonical SMILES for N-benzyl-1-(furan-2-yl)but-3-en-1-amine is C=CCC(NCc1ccccc1)c1ccco1.
What is the InChIKey of N-benzyl-1-(furan-2-yl)but-3-en-1-amine?
The InChIKey is WXPYPAIHLJNYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14,16H,1,7,12H2.
What are the key properties of N-benzyl-1-(furan-2-yl)but-3-en-1-amine?
N-benzyl-1-(furan-2-yl)but-3-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(furan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 2818344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).