1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride

C9H16ClN3O — CID 17406259

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride
SMILESCc1nc(C2(N)CCCCC2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-8(12-13-7)9(10)5-3-2-4-6-9;/h2-6,10H2,1H3;1H
InChIKeyVJKYDAJLKKHCTP-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.92
Rot. Bonds1

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride

1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 17406259) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride
PubChem CID17406259
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride
SMILESCc1nc(C2(N)CCCCC2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-8(12-13-7)9(10)5-3-2-4-6-9;/h2-6,10H2,1H3;1H
InChIKeyVJKYDAJLKKHCTP-UHFFFAOYSA-N
XLogP1.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride (CID 17406259) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride is Cc1nc(C2(N)CCCCC2)no1.Cl.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is VJKYDAJLKKHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7-11-8(12-13-7)9(10)5-3-2-4-6-9;/h2-6,10H2,1H3;1H.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride?
1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 17406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).