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

C9H16ClN3O — CID 71755671

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCc1noc(C2CCC(N)CC2)n1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7;/h7-8H,2-5,10H2,1H3;1H
InChIKeyFJTKMKAFBQLCKS-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.78
Rot. Bonds1

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 71755671) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
PubChem CID71755671
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCc1noc(C2CCC(N)CC2)n1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7;/h7-8H,2-5,10H2,1H3;1H
InChIKeyFJTKMKAFBQLCKS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Ethyl-1,2,4-oxadiazol-5-yl)cyclopentanamine
CID 66033168
4-(1,2,4-Oxadiazol-5-yl)cyclohexan-1-amine hydrochloride
CID 71755753
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine hydrochloride
CID 121605216
4-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812049
3-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride
CID 146193960
2-Fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 147477748
2,2-Difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 153179785
[4-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine;hydrochloride
CID 159233617
N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202816
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
4-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61392819
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63042786

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (CID 71755671) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is Cc1noc(C2CCC(N)CC2)n1.Cl.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is FJTKMKAFBQLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7;/h7-8H,2-5,10H2,1H3;1H.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71755671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).