N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C14H25N3O — CID 63350541

IUPACN-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)CCc1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C14H25N3O/c1-10-5-4-6-12(9-10)14-16-13(18-17-14)8-7-11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyFADXAIDPOHIAGX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350541) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350541
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)CCc1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C14H25N3O/c1-10-5-4-6-12(9-10)14-16-13(18-17-14)8-7-11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyFADXAIDPOHIAGX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114216662
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350541) is N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CNC(C)CCc1nc(C2CCCC(C)C2)no1.
What is the InChIKey of N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is FADXAIDPOHIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-5-4-6-12(9-10)14-16-13(18-17-14)8-7-11(2)15-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).