N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine

C13H26N2O — CID 66391705

IUPACN-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
SMILESCCNC(C)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C13H26N2O/c1-3-14-11(2)5-4-8-15-9-12-6-7-13(10-15)16-12/h11-14H,3-10H2,1-2H3
InChIKeyUEMKZHFQCCBHIY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine

N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine (PubChem CID 66391705) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
PubChem CID66391705
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
SMILESCCNC(C)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C13H26N2O/c1-3-14-11(2)5-4-8-15-9-12-6-7-13(10-15)16-12/h11-14H,3-10H2,1-2H3
InChIKeyUEMKZHFQCCBHIY-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine (CID 66391705) is N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine is CCNC(C)CCCN1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
The InChIKey is UEMKZHFQCCBHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14-11(2)5-4-8-15-9-12-6-7-13(10-15)16-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine?
N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine is sourced from PubChem (CID 66391705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).