2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

C17H24N2 — CID 106169188

IUPAC2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cccc3c2NCCC3)CCC1
InChIInChI=1S/C17H24N2/c1-2-6-14(5-1)10-12-18-13-16-8-3-7-15-9-4-11-19-17(15)16/h3,5,7-8,18-19H,1-2,4,6,9-13H2
InChIKeyJFLUQNZQWKEWSE-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.63
Rot. Bonds5

About 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (PubChem CID 106169188) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
PubChem CID106169188
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cccc3c2NCCC3)CCC1
InChIInChI=1S/C17H24N2/c1-2-6-14(5-1)10-12-18-13-16-8-3-7-15-9-4-11-19-17(15)16/h3,5,7-8,18-19H,1-2,4,6,9-13H2
InChIKeyJFLUQNZQWKEWSE-UHFFFAOYSA-N
XLogP3.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (CID 106169188) is 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is C1=C(CCNCc2cccc3c2NCCC3)CCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The InChIKey is JFLUQNZQWKEWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-6-14(5-1)10-12-18-13-16-8-3-7-15-9-4-11-19-17(15)16/h3,5,7-8,18-19H,1-2,4,6,9-13H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine has a molecular weight of 256.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 106169188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).