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

C15H26N4O — CID 61497415

IUPACN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1noc(C(C)C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-4-19(9-14-17-15(10(2)3)20-18-14)13-7-11-5-6-12(8-13)16-11/h10-13,16H,4-9H2,1-3H3
InChIKeyWCWJJOPAOPMYBB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds5

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

N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61497415) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61497415
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1noc(C(C)C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O/c1-4-19(9-14-17-15(10(2)3)20-18-14)13-7-11-5-6-12(8-13)16-11/h10-13,16H,4-9H2,1-3H3
InChIKeyWCWJJOPAOPMYBB-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230418
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231920
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231921
2-[piperidin-4-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
CID 61497293
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61497415) is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1noc(C(C)C)n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WCWJJOPAOPMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(9-14-17-15(10(2)3)20-18-14)13-7-11-5-6-12(8-13)16-11/h10-13,16H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61497415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).