[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine

C16H33NOS — CID 107767069

IUPAC[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
SMILESCC(C)C(C)S(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C16H33NOS/c1-11(2)12(3)19(18)15-9-14(16(4,5)6)8-7-13(15)10-17/h11-15H,7-10,17H2,1-6H3
InChIKeyQZBIGTAEFSWOMA-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.57
Rot. Bonds4

About [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine

[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine (PubChem CID 107767069) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
PubChem CID107767069
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
SMILESCC(C)C(C)S(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C16H33NOS/c1-11(2)12(3)19(18)15-9-14(16(4,5)6)8-7-13(15)10-17/h11-15H,7-10,17H2,1-6H3
InChIKeyQZBIGTAEFSWOMA-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine (CID 107767069) is [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine is CC(C)C(C)S(=O)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine?
The InChIKey is QZBIGTAEFSWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-11(2)12(3)19(18)15-9-14(16(4,5)6)8-7-13(15)10-17/h11-15H,7-10,17H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine has a molecular weight of 287.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine is sourced from PubChem (CID 107767069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).