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

C14H25N3O — CID 65414269

IUPAC1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCC1CCCC(c2noc(CC(C)NC)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-11-6-5-7-12(9-11)14-16-13(18-17-14)8-10(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyDKFCLDOPJGSBMK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds5

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

1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 65414269) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID65414269
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCC1CCCC(c2noc(CC(C)NC)n2)C1
InChIInChI=1S/C14H25N3O/c1-4-11-6-5-7-12(9-11)14-16-13(18-17-14)8-10(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyDKFCLDOPJGSBMK-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

N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401010
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65392265
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273730
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 65414269) is 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCC1CCCC(c2noc(CC(C)NC)n2)C1.
What is the InChIKey of 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is DKFCLDOPJGSBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-11-6-5-7-12(9-11)14-16-13(18-17-14)8-10(2)15-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-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 1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 65414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).