2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine

C16H24N2O — CID 80649519

IUPAC2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O/c1-19-15-9-3-8-14(15)18-11-13-6-2-5-12-7-4-10-17-16(12)13/h2,5-6,14-15,17-18H,3-4,7-11H2,1H3
InChIKeyNVNKPJLDFBPONL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds4

About 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine

2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine (PubChem CID 80649519) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
PubChem CID80649519
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O/c1-19-15-9-3-8-14(15)18-11-13-6-2-5-12-7-4-10-17-16(12)13/h2,5-6,14-15,17-18H,3-4,7-11H2,1H3
InChIKeyNVNKPJLDFBPONL-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine (CID 80649519) is 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine is COC1CCCC1NCc1cccc2c1NCCC2.
What is the InChIKey of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine?
The InChIKey is NVNKPJLDFBPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-9-3-8-14(15)18-11-13-6-2-5-12-7-4-10-17-16(12)13/h2,5-6,14-15,17-18H,3-4,7-11H2,1H3.
What are the key properties of 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine?
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 80649519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).