N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

C11H12N2O — CID 744556

IUPACN-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CNCc2ccco2)nc1
InChIInChI=1S/C11H12N2O/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h1-7,12H,8-9H2
InChIKeyBQAHELYRKADDGO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (PubChem CID 744556) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
PubChem CID744556
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(CNCc2ccco2)nc1
InChIInChI=1S/C11H12N2O/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h1-7,12H,8-9H2
InChIKeyBQAHELYRKADDGO-UHFFFAOYSA-N
XLogP1.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (CID 744556) is N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is c1ccc(CNCc2ccco2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The InChIKey is BQAHELYRKADDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11/h1-7,12H,8-9H2.
What are the key properties of N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 744556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).