N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C12H20N4O — CID 106408102

IUPACN-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ncno1
InChIInChI=1S/C12H20N4O/c1-13-9-6-10-2-3-11(7-9)16(10)5-4-12-14-8-15-17-12/h8-11,13H,2-7H2,1H3
InChIKeyIEYVDNQUGQSEQQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.83
Rot. Bonds4

About N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106408102) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106408102
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ncno1
InChIInChI=1S/C12H20N4O/c1-13-9-6-10-2-3-11(7-9)16(10)5-4-12-14-8-15-17-12/h8-11,13H,2-7H2,1H3
InChIKeyIEYVDNQUGQSEQQ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 106408102) is N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCc1ncno1.
What is the InChIKey of N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IEYVDNQUGQSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-9-6-10-2-3-11(7-9)16(10)5-4-12-14-8-15-17-12/h8-11,13H,2-7H2,1H3.
What are the key properties of N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 236.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106408102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).