1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H29N3O — CID 115999337

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(c2noc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H29N3O/c1-13(2,3)12-18-11(19-20-12)16(17)9-14(4,5)8-15(6,7)10-16/h8-10,17H2,1-7H3
InChIKeyCEZAEDQTBGVVQB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.76
Rot. Bonds1

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115999337) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115999337
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(N)(c2noc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H29N3O/c1-13(2,3)12-18-11(19-20-12)16(17)9-14(4,5)8-15(6,7)10-16/h8-10,17H2,1-7H3
InChIKeyCEZAEDQTBGVVQB-UHFFFAOYSA-N
XLogP3.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115999337) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(C)(C)CC(N)(c2noc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is CEZAEDQTBGVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2,3)12-18-11(19-20-12)16(17)9-14(4,5)8-15(6,7)10-16/h8-10,17H2,1-7H3.
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115999337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).