N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H20N4O — CID 61231920

IUPACN-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ncon1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H20N4O/c1-2-16(7-12-13-8-17-15-12)11-5-9-3-4-10(6-11)14-9/h8-11,14H,2-7H2,1H3
InChIKeyNEXGAAHZEBVHPS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.17
Rot. Bonds4

About N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231920) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231920
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ncon1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H20N4O/c1-2-16(7-12-13-8-17-15-12)11-5-9-3-4-10(6-11)14-9/h8-11,14H,2-7H2,1H3
InChIKeyNEXGAAHZEBVHPS-UHFFFAOYSA-N
XLogP1.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61231920) is N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1ncon1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NEXGAAHZEBVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16(7-12-13-8-17-15-12)11-5-9-3-4-10(6-11)14-9/h8-11,14H,2-7H2,1H3.
What are the key properties of N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).