1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine

C18H22N2 — CID 79748593

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCc2cccnc21
InChIInChI=1S/C18H22N2/c1-19-17(12-9-14-6-3-2-4-7-14)16-11-10-15-8-5-13-20-18(15)16/h2-8,13,16-17,19H,9-12H2,1H3
InChIKeyXOCRYCMCUVJPEM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 79748593) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID79748593
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCc2cccnc21
InChIInChI=1S/C18H22N2/c1-19-17(12-9-14-6-3-2-4-7-14)16-11-10-15-8-5-13-20-18(15)16/h2-8,13,16-17,19H,9-12H2,1H3
InChIKeyXOCRYCMCUVJPEM-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine (CID 79748593) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is XOCRYCMCUVJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-17(12-9-14-6-3-2-4-7-14)16-11-10-15-8-5-13-20-18(15)16/h2-8,13,16-17,19H,9-12H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 79748593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).