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

C16H29N3O — CID 62857634

IUPAC1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C16H29N3O/c1-3-12-17-14(4-2)16-19-18-15(20-16)11-10-13-8-6-5-7-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyFNEPPTRQKNAUGW-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.03
Rot. Bonds8

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

1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62857634) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62857634
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C16H29N3O/c1-3-12-17-14(4-2)16-19-18-15(20-16)11-10-13-8-6-5-7-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyFNEPPTRQKNAUGW-UHFFFAOYSA-N
XLogP4.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069552
1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164606
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
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
1-[5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124165
1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62905353
1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 79762476
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide
CID 25278548
N-[[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55039549

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62857634) is 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(CCC2CCCCC2)o1.
What is the InChIKey of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is FNEPPTRQKNAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-12-17-14(4-2)16-19-18-15(20-16)11-10-13-8-6-5-7-9-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62857634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).