4-tert-butyl-2-butylsulfinylcyclohexan-1-amine

C14H29NOS — CID 64653726

IUPAC4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
SMILESCCCCS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NOS/c1-5-6-9-17(16)13-10-11(14(2,3)4)7-8-12(13)15/h11-13H,5-10,15H2,1-4H3
InChIKeyHQGBXWVYWLQNCP-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.08
Rot. Bonds4

About 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine

4-tert-butyl-2-butylsulfinylcyclohexan-1-amine (PubChem CID 64653726) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
PubChem CID64653726
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
SMILESCCCCS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NOS/c1-5-6-9-17(16)13-10-11(14(2,3)4)7-8-12(13)15/h11-13H,5-10,15H2,1-4H3
InChIKeyHQGBXWVYWLQNCP-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.08
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-butylsulfinylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine (CID 64653726) is 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine is CCCCS(=O)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine?
The InChIKey is HQGBXWVYWLQNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-6-9-17(16)13-10-11(14(2,3)4)7-8-12(13)15/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-tert-butyl-2-butylsulfinylcyclohexan-1-amine?
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.08, 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-butylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64653726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).