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

C9H15N3O — CID 60812049

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)CC2)n1
InChIInChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyBIOMFDHHARGJFB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds1

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 60812049) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID60812049
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)CC2)n1
InChIInChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3
InChIKeyBIOMFDHHARGJFB-UHFFFAOYSA-N
XLogP1.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 60812049) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is Cc1noc(C2CCC(N)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is BIOMFDHHARGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.36, 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 is sourced from PubChem (CID 60812049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).