N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H20N2O2 — CID 113390836

IUPACN-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCOCCOCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H20N2O2/c1-16-9-10-17-8-7-14-13-6-5-11-3-2-4-12(11)15-13/h5-6H,2-4,7-10H2,1H3,(H,14,15)
InChIKeyOUUAYRSLBPAWRJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390836) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390836
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCOCCOCCNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H20N2O2/c1-16-9-10-17-8-7-14-13-6-5-11-3-2-4-12(11)15-13/h5-6H,2-4,7-10H2,1H3,(H,14,15)
InChIKeyOUUAYRSLBPAWRJ-UHFFFAOYSA-N
XLogP1.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.65
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 N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390836) is N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is COCCOCCNc1ccc2c(n1)CCC2.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is OUUAYRSLBPAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-9-10-17-8-7-14-13-6-5-11-3-2-4-12(11)15-13/h5-6H,2-4,7-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 236.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).