2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C12H24F3NS — CID 116616640

IUPAC2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(11(2,3)4)7-6-9-17-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyJUGRBEWIKJXGKH-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.43
Rot. Bonds7

About 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine

2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616640) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616640
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCCNC(CCCSC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(11(2,3)4)7-6-9-17-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyJUGRBEWIKJXGKH-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616640) is 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CCCNC(CCCSC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is JUGRBEWIKJXGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-5-8-16-10(11(2,3)4)7-6-9-17-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 271.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).