[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine

C12H18N2O — CID 65050486

IUPAC[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
SMILESNCC1(OCc2ccncc2)CCCC1
InChIInChI=1S/C12H18N2O/c13-10-12(5-1-2-6-12)15-9-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10,13H2
InChIKeyJPTPBTSPHCTIQB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.87
Rot. Bonds4

About [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine

[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine (PubChem CID 65050486) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
PubChem CID65050486
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
SMILESNCC1(OCc2ccncc2)CCCC1
InChIInChI=1S/C12H18N2O/c13-10-12(5-1-2-6-12)15-9-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10,13H2
InChIKeyJPTPBTSPHCTIQB-UHFFFAOYSA-N
XLogP1.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine?
The IUPAC name of [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine (CID 65050486) is [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine is NCC1(OCc2ccncc2)CCCC1.
What is the InChIKey of [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine?
The InChIKey is JPTPBTSPHCTIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-12(5-1-2-6-12)15-9-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10,13H2.
What are the key properties of [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine?
[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 65050486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).