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

C15H27N3O — CID 62138939

IUPAC3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C15H27N3O/c1-12(2)16-10-6-9-14-17-18-15(19-14)11-13-7-4-3-5-8-13/h12-13,16H,3-11H2,1-2H3
InChIKeyQSSJWBGYXBJIPB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds7

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

3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 62138939) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID62138939
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(CC2CCCCC2)o1
InChIInChI=1S/C15H27N3O/c1-12(2)16-10-6-9-14-17-18-15(19-14)11-13-7-4-3-5-8-13/h12-13,16H,3-11H2,1-2H3
InChIKeyQSSJWBGYXBJIPB-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103166380
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979
N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 62138939) is 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nnc(CC2CCCCC2)o1.
What is the InChIKey of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is QSSJWBGYXBJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)16-10-6-9-14-17-18-15(19-14)11-13-7-4-3-5-8-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62138939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).