N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine

C11H12N2O — CID 736510

IUPACN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCc2ccco2)c1
InChIInChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
InChIKeyMZMZQNAMCDNTOE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine

N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine (PubChem CID 736510) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
PubChem CID736510
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESc1cncc(CNCc2ccco2)c1
InChIInChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
InChIKeyMZMZQNAMCDNTOE-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-3-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine (CID 736510) is N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine is c1cncc(CNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
The InChIKey is MZMZQNAMCDNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2.
What are the key properties of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
N-(furan-2-ylmethyl)-1-pyridin-3-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-3-ylmethanamine is sourced from PubChem (CID 736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).