1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C13H24N4O — CID 113291056

IUPAC1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCN(C)CCc1noc(CC2(N)CCCCC2)n1
InChIInChI=1S/C13H24N4O/c1-17(2)9-6-11-15-12(18-16-11)10-13(14)7-4-3-5-8-13/h3-10,14H2,1-2H3
InChIKeyGJMQWVHQGKPVTM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.38
Rot. Bonds5

About 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 113291056) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID113291056
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCN(C)CCc1noc(CC2(N)CCCCC2)n1
InChIInChI=1S/C13H24N4O/c1-17(2)9-6-11-15-12(18-16-11)10-13(14)7-4-3-5-8-13/h3-10,14H2,1-2H3
InChIKeyGJMQWVHQGKPVTM-UHFFFAOYSA-N
XLogP1.38
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672446
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115345512
1-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243264
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 115345411
1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846485
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631985
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 79845957
1-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672428
1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671461

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 113291056) is 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CN(C)CCc1noc(CC2(N)CCCCC2)n1.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is GJMQWVHQGKPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-17(2)9-6-11-15-12(18-16-11)10-13(14)7-4-3-5-8-13/h3-10,14H2,1-2H3.
What are the key properties of 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 113291056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).