1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

C12H21N3O — CID 61353102

IUPAC1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCCCCCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C12H21N3O/c1-2-3-4-7-10-14-11(15-16-10)12(13)8-5-6-9-12/h2-9,13H2,1H3
InChIKeyDJBJZTPYGSIPMS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.53
Rot. Bonds5

About 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (PubChem CID 61353102) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
PubChem CID61353102
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCCCCCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C12H21N3O/c1-2-3-4-7-10-14-11(15-16-10)12(13)8-5-6-9-12/h2-9,13H2,1H3
InChIKeyDJBJZTPYGSIPMS-UHFFFAOYSA-N
XLogP2.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273

Frequently Asked Questions

What is the IUPAC name of 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (CID 61353102) is 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is CCCCCc1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The InChIKey is DJBJZTPYGSIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-7-10-14-11(15-16-10)12(13)8-5-6-9-12/h2-9,13H2,1H3.
What are the key properties of 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 61353102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).