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

C13H22N4O — CID 62740936

IUPACN-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2Cc1nc(C)no1
InChIInChI=1S/C13H22N4O/c1-3-14-10-6-11-4-5-12(7-10)17(11)8-13-15-9(2)16-18-13/h10-12,14H,3-8H2,1-2H3
InChIKeyPXFIFEMESPVORT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds4

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

N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740936) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740936
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2Cc1nc(C)no1
InChIInChI=1S/C13H22N4O/c1-3-14-10-6-11-4-5-12(7-10)17(11)8-13-15-9(2)16-18-13/h10-12,14H,3-8H2,1-2H3
InChIKeyPXFIFEMESPVORT-UHFFFAOYSA-N
XLogP1.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106421181
8-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106376421
3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
CID 106418226
3-methyl-5-[[3-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1,2,4-oxadiazole
CID 172902564
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106418244
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
CID 66401134
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62740936) is N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2Cc1nc(C)no1.
What is the InChIKey of N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PXFIFEMESPVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-10-6-11-4-5-12(7-10)17(11)8-13-15-9(2)16-18-13/h10-12,14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).