[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride

C13H22ClN3O — CID 119948065

IUPAC[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2nc(C3CCCC3)no2)CCCC1
InChIInChI=1S/C13H21N3O.ClH/c14-9-13(7-3-4-8-13)12-15-11(16-17-12)10-5-1-2-6-10;/h10H,1-9,14H2;1H
InChIKeyFINPHZPLRLXRJR-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.92
Rot. Bonds3

About [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride

[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride (PubChem CID 119948065) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
PubChem CID119948065
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2nc(C3CCCC3)no2)CCCC1
InChIInChI=1S/C13H21N3O.ClH/c14-9-13(7-3-4-8-13)12-15-11(16-17-12)10-5-1-2-6-10;/h10H,1-9,14H2;1H
InChIKeyFINPHZPLRLXRJR-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311272
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
CID 71980379

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride?
The IUPAC name of [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride (CID 119948065) is [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride is Cl.NCC1(c2nc(C3CCCC3)no2)CCCC1.
What is the InChIKey of [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride?
The InChIKey is FINPHZPLRLXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c14-9-13(7-3-4-8-13)12-15-11(16-17-12)10-5-1-2-6-10;/h10H,1-9,14H2;1H.
What are the key properties of [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride?
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride is sourced from PubChem (CID 119948065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).