[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine

C16H20N2O — CID 79235747

IUPAC[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O/c17-10-12-4-3-7-16(12)19-11-13-8-9-18-15-6-2-1-5-14(13)15/h1-2,5-6,8-9,12,16H,3-4,7,10-11,17H2
InChIKeyBHUSKUSQITXJSO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.88
Rot. Bonds4

About [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine

[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine (PubChem CID 79235747) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine
PubChem CID79235747
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O/c17-10-12-4-3-7-16(12)19-11-13-8-9-18-15-6-2-1-5-14(13)15/h1-2,5-6,8-9,12,16H,3-4,7,10-11,17H2
InChIKeyBHUSKUSQITXJSO-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine (CID 79235747) is [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine is NCC1CCCC1OCc1ccnc2ccccc12.
What is the InChIKey of [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine?
The InChIKey is BHUSKUSQITXJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-10-12-4-3-7-16(12)19-11-13-8-9-18-15-6-2-1-5-14(13)15/h1-2,5-6,8-9,12,16H,3-4,7,10-11,17H2.
What are the key properties of [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine?
[2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(quinolin-4-ylmethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 79235747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).