N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

C10H13N3O — CID 14712093

IUPACN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESc1coc(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C10H13N3O/c1-2-10(14-5-1)7-11-4-3-9-6-12-8-13-9/h1-2,5-6,8,11H,3-4,7H2,(H,12,13)
InChIKeyJGUMYETWJDLUNU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.34
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine

N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 14712093) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
PubChem CID14712093
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
SMILESc1coc(CNCCc2cnc[nH]2)c1
InChIInChI=1S/C10H13N3O/c1-2-10(14-5-1)7-11-4-3-9-6-12-8-13-9/h1-2,5-6,8,11H,3-4,7H2,(H,12,13)
InChIKeyJGUMYETWJDLUNU-UHFFFAOYSA-N
XLogP1.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine (CID 14712093) is N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is c1coc(CNCCc2cnc[nH]2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is JGUMYETWJDLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-10(14-5-1)7-11-4-3-9-6-12-8-13-9/h1-2,5-6,8,11H,3-4,7H2,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine?
N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 14712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).