[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine

C15H27N3O — CID 115442802

IUPAC[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(CC(C)(C)C)no2)CC1
InChIInChI=1S/C15H27N3O/c1-11-5-7-15(10-16,8-6-11)13-17-12(18-19-13)9-14(2,3)4/h11H,5-10,16H2,1-4H3
InChIKeyANZLGKZUOJUCGU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.06
Rot. Bonds3

About [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine

[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (PubChem CID 115442802) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
PubChem CID115442802
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(CC(C)(C)C)no2)CC1
InChIInChI=1S/C15H27N3O/c1-11-5-7-15(10-16,8-6-11)13-17-12(18-19-13)9-14(2,3)4/h11H,5-10,16H2,1-4H3
InChIKeyANZLGKZUOJUCGU-UHFFFAOYSA-N
XLogP3.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (CID 115442802) is [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nc(CC(C)(C)C)no2)CC1.
What is the InChIKey of [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The InChIKey is ANZLGKZUOJUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-5-7-15(10-16,8-6-11)13-17-12(18-19-13)9-14(2,3)4/h11H,5-10,16H2,1-4H3.
What are the key properties of [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115442802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).