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

C10H17N3O — CID 64754167

IUPAC2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2ncon2)C1
InChIInChI=1S/C10H17N3O/c1-7-3-4-8(2)10(11,5-7)9-12-6-14-13-9/h6-8H,3-5,11H2,1-2H3
InChIKeyIIYUBHSYXHLQKX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.68
Rot. Bonds1

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

2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 64754167) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID64754167
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(c2ncon2)C1
InChIInChI=1S/C10H17N3O/c1-7-3-4-8(2)10(11,5-7)9-12-6-14-13-9/h6-8H,3-5,11H2,1-2H3
InChIKeyIIYUBHSYXHLQKX-UHFFFAOYSA-N
XLogP1.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 64754167) is 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC1CCC(C)C(N)(c2ncon2)C1.
What is the InChIKey of 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is IIYUBHSYXHLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-3-4-8(2)10(11,5-7)9-12-6-14-13-9/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 64754167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).