(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine

C16H33NOS — CID 107766846

IUPAC(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
SMILESCCCCCS(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C16H33NOS/c1-5-6-7-10-19(18)15-11-14(16(2,3)4)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeyDUFUSRNRIRAYLK-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.71
Rot. Bonds6

About (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine

(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine (PubChem CID 107766846) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
PubChem CID107766846
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
SMILESCCCCCS(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C16H33NOS/c1-5-6-7-10-19(18)15-11-14(16(2,3)4)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeyDUFUSRNRIRAYLK-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine
CID 64658420
[4-tert-butyl-2-(3-methylbutan-2-ylsulfinyl)cyclohexyl]methanamine
CID 107767069
[4-tert-butyl-2-(oxan-4-ylsulfinyl)cyclohexyl]methanamine
CID 81334474
2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758936
1-butyl-4-tert-butyl-2-ethylcyclohexane
CID 123975889
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
CID 64698832

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine (CID 107766846) is (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine is CCCCCS(=O)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine?
The InChIKey is DUFUSRNRIRAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-5-6-7-10-19(18)15-11-14(16(2,3)4)9-8-13(15)12-17/h13-15H,5-12,17H2,1-4H3.
What are the key properties of (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine?
(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine has a molecular weight of 287.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine is sourced from PubChem (CID 107766846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).