2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine

C16H29N3O — CID 62717760

IUPAC2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H29N3O/c1-6-16(5,17)14-18-13(20-19-14)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10,17H2,1-5H3
InChIKeySDRYPXCUMHMWOX-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.97
Rot. Bonds3

About 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine

2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62717760) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62717760
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H29N3O/c1-6-16(5,17)14-18-13(20-19-14)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10,17H2,1-5H3
InChIKeySDRYPXCUMHMWOX-UHFFFAOYSA-N
XLogP3.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62717760) is 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is SDRYPXCUMHMWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(5,17)14-18-13(20-19-14)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10,17H2,1-5H3.
What are the key properties of 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62717760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).