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

C15H27N3O — CID 65401617

IUPACN-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(C2CCCC(CC)C2)no1
InChIInChI=1S/C15H27N3O/c1-4-12-7-6-8-13(9-12)14-17-15(19-18-14)11(3)10-16-5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyNHNGCEBTODQXEE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.47
Rot. Bonds6

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

N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 65401617) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID65401617
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(C2CCCC(CC)C2)no1
InChIInChI=1S/C15H27N3O/c1-4-12-7-6-8-13(9-12)14-17-15(19-18-14)11(3)10-16-5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyNHNGCEBTODQXEE-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273730
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 65401617) is N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(C2CCCC(CC)C2)no1.
What is the InChIKey of N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is NHNGCEBTODQXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-12-7-6-8-13(9-12)14-17-15(19-18-14)11(3)10-16-5-2/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 65401617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).