8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine

C18H22N2O2 — CID 130389266

IUPAC8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
SMILESCC(C)CCCOc1ccc2c(c1)OCc1cnc(N)cc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)4-3-7-21-14-5-6-15-16-9-18(19)20-10-13(16)11-22-17(15)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H2,19,20)
InChIKeyNPEMPBIFJRQNQL-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.04
Rot. Bonds5

About 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine

8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine (PubChem CID 130389266) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
PubChem CID130389266
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
SMILESCC(C)CCCOc1ccc2c(c1)OCc1cnc(N)cc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)4-3-7-21-14-5-6-15-16-9-18(19)20-10-13(16)11-22-17(15)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H2,19,20)
InChIKeyNPEMPBIFJRQNQL-UHFFFAOYSA-N
XLogP4.04
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine?
The IUPAC name of 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine (CID 130389266) is 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine?
The canonical SMILES for 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine is CC(C)CCCOc1ccc2c(c1)OCc1cnc(N)cc1-2.
What is the InChIKey of 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine?
The InChIKey is NPEMPBIFJRQNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)4-3-7-21-14-5-6-15-16-9-18(19)20-10-13(16)11-22-17(15)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H2,19,20).
What are the key properties of 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine?
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine is sourced from PubChem (CID 130389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).