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

C17H31N3O — CID 65389955

IUPAC3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCC1CCC(c2noc(C(C(C)C)C(C)NC)n2)CC1
InChIInChI=1S/C17H31N3O/c1-6-13-7-9-14(10-8-13)16-19-17(21-20-16)15(11(2)3)12(4)18-5/h11-15,18H,6-10H2,1-5H3
InChIKeyCDVJEKROKHNNTF-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.10
Rot. Bonds6

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

3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 65389955) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID65389955
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCC1CCC(c2noc(C(C(C)C)C(C)NC)n2)CC1
InChIInChI=1S/C17H31N3O/c1-6-13-7-9-14(10-8-13)16-19-17(21-20-16)15(11(2)3)12(4)18-5/h11-15,18H,6-10H2,1-5H3
InChIKeyCDVJEKROKHNNTF-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 65389955) is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CCC1CCC(c2noc(C(C(C)C)C(C)NC)n2)CC1.
What is the InChIKey of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is CDVJEKROKHNNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-13-7-9-14(10-8-13)16-19-17(21-20-16)15(11(2)3)12(4)18-5/h11-15,18H,6-10H2,1-5H3.
What are the key properties of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 65389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).