N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine

C14H27NO2 — CID 62107028

IUPACN-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCO2)CCCC1
InChIInChI=1S/C14H27NO2/c1-2-15-12-14(8-4-5-9-14)17-11-13-7-3-6-10-16-13/h13,15H,2-12H2,1H3
InChIKeyCZXFEGSVQZXNSJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine

N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine (PubChem CID 62107028) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine
PubChem CID62107028
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCO2)CCCC1
InChIInChI=1S/C14H27NO2/c1-2-15-12-14(8-4-5-9-14)17-11-13-7-3-6-10-16-13/h13,15H,2-12H2,1H3
InChIKeyCZXFEGSVQZXNSJ-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine (CID 62107028) is N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine is CCNCC1(OCC2CCCCO2)CCCC1.
What is the InChIKey of N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine?
The InChIKey is CZXFEGSVQZXNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-15-12-14(8-4-5-9-14)17-11-13-7-3-6-10-16-13/h13,15H,2-12H2,1H3.
What are the key properties of N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine?
N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62107028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).