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

C15H27N3O — CID 55039117

IUPACN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C15H27N3O/c1-15(2,3)16-11-14-18-17-13(19-14)10-9-12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3
InChIKeyGCDVOXAIAGQKLS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.47
Rot. Bonds5

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

N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55039117) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID55039117
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C15H27N3O/c1-15(2,3)16-11-14-18-17-13(19-14)10-9-12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3
InChIKeyGCDVOXAIAGQKLS-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 55039117) is N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(CCC2CCCCC2)o1.
What is the InChIKey of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GCDVOXAIAGQKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)16-11-14-18-17-13(19-14)10-9-12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55039117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).