3-(oxan-4-ylmethoxy)cyclopentan-1-amine

C11H21NO2 — CID 79458329

IUPAC3-(oxan-4-ylmethoxy)cyclopentan-1-amine
SMILESNC1CCC(OCC2CCOCC2)C1
InChIInChI=1S/C11H21NO2/c12-10-1-2-11(7-10)14-8-9-3-5-13-6-4-9/h9-11H,1-8,12H2
InChIKeyWSFNTDHDIKUIKO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds3

About 3-(oxan-4-ylmethoxy)cyclopentan-1-amine

3-(oxan-4-ylmethoxy)cyclopentan-1-amine (PubChem CID 79458329) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxy)cyclopentan-1-amine
PubChem CID79458329
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(oxan-4-ylmethoxy)cyclopentan-1-amine
SMILESNC1CCC(OCC2CCOCC2)C1
InChIInChI=1S/C11H21NO2/c12-10-1-2-11(7-10)14-8-9-3-5-13-6-4-9/h9-11H,1-8,12H2
InChIKeyWSFNTDHDIKUIKO-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The IUPAC name of 3-(oxan-4-ylmethoxy)cyclopentan-1-amine (CID 79458329) is 3-(oxan-4-ylmethoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(oxan-4-ylmethoxy)cyclopentan-1-amine is NC1CCC(OCC2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-ylmethoxy)cyclopentan-1-amine?
The InChIKey is WSFNTDHDIKUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-10-1-2-11(7-10)14-8-9-3-5-13-6-4-9/h9-11H,1-8,12H2.
What are the key properties of 3-(oxan-4-ylmethoxy)cyclopentan-1-amine?
3-(oxan-4-ylmethoxy)cyclopentan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxy)cyclopentan-1-amine is sourced from PubChem (CID 79458329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).