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

C14H18N2O2 — CID 61375572

IUPACN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccc(CNc2cccnc2OC(C)C)o1
InChIInChI=1S/C14H18N2O2/c1-10(2)17-14-13(5-4-8-15-14)16-9-12-7-6-11(3)18-12/h4-8,10,16H,9H2,1-3H3
InChIKeyCBPKQGWWXPJVEI-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.38
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 61375572) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID61375572
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccc(CNc2cccnc2OC(C)C)o1
InChIInChI=1S/C14H18N2O2/c1-10(2)17-14-13(5-4-8-15-14)16-9-12-7-6-11(3)18-12/h4-8,10,16H,9H2,1-3H3
InChIKeyCBPKQGWWXPJVEI-UHFFFAOYSA-N
XLogP3.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 61375572) is N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is Cc1ccc(CNc2cccnc2OC(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is CBPKQGWWXPJVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)17-14-13(5-4-8-15-14)16-9-12-7-6-11(3)18-12/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 61375572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).