N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine

C13H24N2O — CID 66369856

IUPACN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
SMILESC1CCC(NCCN2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O/c1-2-4-11(3-1)14-7-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2
InChIKeyDEUPFVNPUDFOII-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine

N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine (PubChem CID 66369856) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
PubChem CID66369856
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
SMILESC1CCC(NCCN2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O/c1-2-4-11(3-1)14-7-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2
InChIKeyDEUPFVNPUDFOII-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine (CID 66369856) is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine is C1CCC(NCCN2CC3CCC(C2)O3)C1.
What is the InChIKey of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine?
The InChIKey is DEUPFVNPUDFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-4-11(3-1)14-7-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2.
What are the key properties of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine?
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 66369856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).