N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine

C15H28N2O — CID 79565380

IUPACN-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CC2CCC(C1)O2
InChIInChI=1S/C15H28N2O/c1-2-16-15-5-3-4-12(15)8-9-17-10-13-6-7-14(11-17)18-13/h12-16H,2-11H2,1H3
InChIKeyWVEJUEDATYYXIS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 79565380) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine
PubChem CID79565380
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CC2CCC(C1)O2
InChIInChI=1S/C15H28N2O/c1-2-16-15-5-3-4-12(15)8-9-17-10-13-6-7-14(11-17)18-13/h12-16H,2-11H2,1H3
InChIKeyWVEJUEDATYYXIS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine (CID 79565380) is N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is WVEJUEDATYYXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-16-15-5-3-4-12(15)8-9-17-10-13-6-7-14(11-17)18-13/h12-16H,2-11H2,1H3.
What are the key properties of N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79565380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).