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

C15H26N4O — CID 115997591

IUPACN-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(C2CC3CCC(C2)N3C)no1
InChIInChI=1S/C15H26N4O/c1-5-16-15(2,3)14-17-13(18-20-14)10-8-11-6-7-12(9-10)19(11)4/h10-12,16H,5-9H2,1-4H3
InChIKeyMQZWXJDJABQYEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds4

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

N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 115997591) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID115997591
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(C2CC3CCC(C2)N3C)no1
InChIInChI=1S/C15H26N4O/c1-5-16-15(2,3)14-17-13(18-20-14)10-8-11-6-7-12(9-10)19(11)4/h10-12,16H,5-9H2,1-4H3
InChIKeyMQZWXJDJABQYEI-UHFFFAOYSA-N
XLogP2.25
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115997665
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
3,3-dimethyl-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 115998504
N-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115998544
1-amino-2-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115997614
(1S)-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881230
1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115997649
N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79962578
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 112680499
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 115997591) is N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(C2CC3CCC(C2)N3C)no1.
What is the InChIKey of N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is MQZWXJDJABQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-15(2,3)14-17-13(18-20-14)10-8-11-6-7-12(9-10)19(11)4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115997591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).