1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine

C12H21N3O — CID 64735743

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCCc1nc(C2(N)CC(C)CC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-4-10-14-11(15-16-10)12(13)6-8(2)5-9(3)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyHPWWEJQEDXAFTK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.24
Rot. Bonds2

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735743) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64735743
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCCc1nc(C2(N)CC(C)CC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-4-10-14-11(15-16-10)12(13)6-8(2)5-9(3)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyHPWWEJQEDXAFTK-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine (CID 64735743) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine is CCc1nc(C2(N)CC(C)CC(C)C2)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is HPWWEJQEDXAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10-14-11(15-16-10)12(13)6-8(2)5-9(3)7-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).