1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H29N3O — CID 43559849

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2noc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H29N3O/c1-10(2)12-8-7-11(3)9-16(12,17)13-18-14(20-19-13)15(4,5)6/h10-12H,7-9,17H2,1-6H3
InChIKeyDPSNHVLVLZRVAL-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.61
Rot. Bonds2

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43559849) 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)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43559849
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2noc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H29N3O/c1-10(2)12-8-7-11(3)9-16(12,17)13-18-14(20-19-13)15(4,5)6/h10-12H,7-9,17H2,1-6H3
InChIKeyDPSNHVLVLZRVAL-UHFFFAOYSA-N
XLogP3.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.61
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)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43559849) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2noc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is DPSNHVLVLZRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-10(2)12-8-7-11(3)9-16(12,17)13-18-14(20-19-13)15(4,5)6/h10-12H,7-9,17H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.61, 2 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)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43559849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).