1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine

C14H25N3O — CID 55035098

IUPAC1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCCCC1CCC(c2nnc(C(C)N)o2)CC1
InChIInChI=1S/C14H25N3O/c1-3-4-5-11-6-8-12(9-7-11)14-17-16-13(18-14)10(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyXJOKCFGJESJKLD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.55
Rot. Bonds5

About 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 55035098) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID55035098
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCCCC1CCC(c2nnc(C(C)N)o2)CC1
InChIInChI=1S/C14H25N3O/c1-3-4-5-11-6-8-12(9-7-11)14-17-16-13(18-14)10(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyXJOKCFGJESJKLD-UHFFFAOYSA-N
XLogP3.55
TPSA64.94 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 81933208
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81933212
N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 81933227
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81933229
N-ethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933252
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81933253
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81933269
1-[5-[4-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933345
1-[5-(4,4-Difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933346
1-[5-[3-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933368
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 81933513
1-[5-[2-(Trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104622622

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 55035098) is 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCCCC1CCC(c2nnc(C(C)N)o2)CC1.
What is the InChIKey of 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is XJOKCFGJESJKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-4-5-11-6-8-12(9-7-11)14-17-16-13(18-14)10(2)15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 55035098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).