5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine

C16H29N3O — CID 65393884

IUPAC5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
SMILESCCC1CCC(c2noc(CCC(C)CCN)n2)CC1
InChIInChI=1S/C16H29N3O/c1-3-13-5-7-14(8-6-13)16-18-15(20-19-16)9-4-12(2)10-11-17/h12-14H,3-11,17H2,1-2H3
InChIKeyCKAMFLSSCSXLOA-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.67
Rot. Bonds7

About 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine

5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine (PubChem CID 65393884) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
PubChem CID65393884
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
SMILESCCC1CCC(c2noc(CCC(C)CCN)n2)CC1
InChIInChI=1S/C16H29N3O/c1-3-13-5-7-14(8-6-13)16-18-15(20-19-16)9-4-12(2)10-11-17/h12-14H,3-11,17H2,1-2H3
InChIKeyCKAMFLSSCSXLOA-UHFFFAOYSA-N
XLogP3.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 116701630
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The IUPAC name of 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine (CID 65393884) is 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine.
What is the SMILES notation for 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The canonical SMILES for 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine is CCC1CCC(c2noc(CCC(C)CCN)n2)CC1.
What is the InChIKey of 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
The InChIKey is CKAMFLSSCSXLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-13-5-7-14(8-6-13)16-18-15(20-19-16)9-4-12(2)10-11-17/h12-14H,3-11,17H2,1-2H3.
What are the key properties of 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine?
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine is sourced from PubChem (CID 65393884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).