N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine

C15H20N2O2 — CID 62344566

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCCc1ccc(CNc2cccnc2OC(C)C)o1
InChIInChI=1S/C15H20N2O2/c1-4-12-7-8-13(19-12)10-17-14-6-5-9-16-15(14)18-11(2)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyXIJYRRDKJLGUQD-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.64
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 62344566) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID62344566
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCCc1ccc(CNc2cccnc2OC(C)C)o1
InChIInChI=1S/C15H20N2O2/c1-4-12-7-8-13(19-12)10-17-14-6-5-9-16-15(14)18-11(2)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyXIJYRRDKJLGUQD-UHFFFAOYSA-N
XLogP3.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 62344566) is N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is CCc1ccc(CNc2cccnc2OC(C)C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is XIJYRRDKJLGUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-12-7-8-13(19-12)10-17-14-6-5-9-16-15(14)18-11(2)3/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 62344566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).