6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine

C17H20N2O2 — CID 105009947

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CCc3cccnc32)c1
InChIInChI=1S/C17H20N2O2/c1-20-12-6-8-15(21-2)14(10-12)16(18)13-7-5-11-4-3-9-19-17(11)13/h3-4,6,8-10,13,16H,5,7,18H2,1-2H3
InChIKeyBEXNIELIVFNYIY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.83
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine (PubChem CID 105009947) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
PubChem CID105009947
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)C2CCc3cccnc32)c1
InChIInChI=1S/C17H20N2O2/c1-20-12-6-8-15(21-2)14(10-12)16(18)13-7-5-11-4-3-9-19-17(11)13/h3-4,6,8-10,13,16H,5,7,18H2,1-2H3
InChIKeyBEXNIELIVFNYIY-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine (CID 105009947) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(C(N)C2CCc3cccnc32)c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is BEXNIELIVFNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-12-6-8-15(21-2)14(10-12)16(18)13-7-5-11-4-3-9-19-17(11)13/h3-4,6,8-10,13,16H,5,7,18H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105009947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).