3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

C17H31N3O — CID 65389298

IUPAC3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C17H31N3O/c1-6-11-18-13(3)12(2)16-19-15(20-21-16)14-7-9-17(4,5)10-8-14/h12-14,18H,6-11H2,1-5H3
InChIKeyNJCODCGNEYMSLH-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.24
Rot. Bonds6

About 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 65389298) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID65389298
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C17H31N3O/c1-6-11-18-13(3)12(2)16-19-15(20-21-16)14-7-9-17(4,5)10-8-14/h12-14,18H,6-11H2,1-5H3
InChIKeyNJCODCGNEYMSLH-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389890
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
(1S,2S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900157
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900158
4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 65329235
3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79961527
5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65390284
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65390357

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 65389298) is 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)C(C)c1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is NJCODCGNEYMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-11-18-13(3)12(2)16-19-15(20-21-16)14-7-9-17(4,5)10-8-14/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 65389298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).