2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine

C15H27N3O2 — CID 106483668

IUPAC2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(CC2CCCCC2NC)n1
InChIInChI=1S/C15H27N3O2/c1-5-19-15(2,3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16-4/h11-12,16H,5-10H2,1-4H3
InChIKeyMCZDNHDHRSAINX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds6

About 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine

2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine (PubChem CID 106483668) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
PubChem CID106483668
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
SMILESCCOC(C)(C)c1noc(CC2CCCCC2NC)n1
InChIInChI=1S/C15H27N3O2/c1-5-19-15(2,3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16-4/h11-12,16H,5-10H2,1-4H3
InChIKeyMCZDNHDHRSAINX-UHFFFAOYSA-N
XLogP2.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116733636
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 116732738
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991
N-methyl-2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483567
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527167
N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483367
2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483677
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116732734

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine (CID 106483668) is 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine is CCOC(C)(C)c1noc(CC2CCCCC2NC)n1.
What is the InChIKey of 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is MCZDNHDHRSAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-19-15(2,3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16-4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine?
2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).