N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine

C17H20N2 — CID 79739248

IUPACN-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1C1CCc2cccnc21
InChIInChI=1S/C17H20N2/c1-2-18-12-14-6-3-4-8-15(14)16-10-9-13-7-5-11-19-17(13)16/h3-8,11,16,18H,2,9-10,12H2,1H3
InChIKeyQKHKFAZMILORCL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.27
Rot. Bonds4

About N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine

N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine (PubChem CID 79739248) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
PubChem CID79739248
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1C1CCc2cccnc21
InChIInChI=1S/C17H20N2/c1-2-18-12-14-6-3-4-8-15(14)16-10-9-13-7-5-11-19-17(13)16/h3-8,11,16,18H,2,9-10,12H2,1H3
InChIKeyQKHKFAZMILORCL-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine (CID 79739248) is N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1C1CCc2cccnc21.
What is the InChIKey of N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine?
The InChIKey is QKHKFAZMILORCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-18-12-14-6-3-4-8-15(14)16-10-9-13-7-5-11-19-17(13)16/h3-8,11,16,18H,2,9-10,12H2,1H3.
What are the key properties of N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine?
N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79739248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).