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

C15H26N4O — CID 61230418

IUPACN-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCc1noc(CN(CC)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H26N4O/c1-3-5-14-17-15(20-18-14)10-19(4-2)13-8-11-6-7-12(9-13)16-11/h11-13,16H,3-10H2,1-2H3
InChIKeyXIQMLAIPUIDJMT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds6

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

N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230418) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230418
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCc1noc(CN(CC)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C15H26N4O/c1-3-5-14-17-15(20-18-14)10-19(4-2)13-8-11-6-7-12(9-13)16-11/h11-13,16H,3-10H2,1-2H3
InChIKeyXIQMLAIPUIDJMT-UHFFFAOYSA-N
XLogP2.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61497415
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231921
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231920
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119458881
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 79608814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61230418) is N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCCc1noc(CN(CC)C2CC3CCC(C2)N3)n1.
What is the InChIKey of N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XIQMLAIPUIDJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-14-17-15(20-18-14)10-19(4-2)13-8-11-6-7-12(9-13)16-11/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).