N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine

C13H25NO2 — CID 62106808

IUPACN-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOCC2)CCCC1
InChIInChI=1S/C13H25NO2/c1-2-14-11-13(7-3-4-8-13)16-12-5-9-15-10-6-12/h12,14H,2-11H2,1H3
InChIKeyJFIWQQCMWWZXRZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine

N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine (PubChem CID 62106808) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
PubChem CID62106808
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOCC2)CCCC1
InChIInChI=1S/C13H25NO2/c1-2-14-11-13(7-3-4-8-13)16-12-5-9-15-10-6-12/h12,14H,2-11H2,1H3
InChIKeyJFIWQQCMWWZXRZ-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine (CID 62106808) is N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine is CCNCC1(OC2CCOCC2)CCCC1.
What is the InChIKey of N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine?
The InChIKey is JFIWQQCMWWZXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14-11-13(7-3-4-8-13)16-12-5-9-15-10-6-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine?
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).