5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C14H25N3O — CID 114183211

IUPAC5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCc2ncno2)C1
InChIInChI=1S/C14H25N3O/c1-10(2)12-5-4-11(3)8-13(12)15-7-6-14-16-9-17-18-14/h9-13,15H,4-8H2,1-3H3
InChIKeyYMQHXWUABWYRBL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.66
Rot. Bonds5

About 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 114183211) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID114183211
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCc2ncno2)C1
InChIInChI=1S/C14H25N3O/c1-10(2)12-5-4-11(3)8-13(12)15-7-6-14-16-9-17-18-14/h9-13,15H,4-8H2,1-3H3
InChIKeyYMQHXWUABWYRBL-UHFFFAOYSA-N
XLogP2.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609727
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106394475
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 114183326
N-[2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61868160
N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65389366
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389367
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 65389757
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65389758
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 65389955
N-[2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 65390169
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65391147
N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65391541

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 114183211) is 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCCc2ncno2)C1.
What is the InChIKey of 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is YMQHXWUABWYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)12-5-4-11(3)8-13(12)15-7-6-14-16-9-17-18-14/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114183211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).