4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C11H22F3NS — CID 116616707

IUPAC4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCCNC(CC)C(C)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-4-7-15-10(5-2)9(3)6-8-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyDRHFAWYDWHXWNA-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.04
Rot. Bonds8

About 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine

4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616707) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616707
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC Name4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCCNC(CC)C(C)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-4-7-15-10(5-2)9(3)6-8-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyDRHFAWYDWHXWNA-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616707) is 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CCCNC(CC)C(C)CCSC(F)(F)F.
What is the InChIKey of 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is DRHFAWYDWHXWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-4-7-15-10(5-2)9(3)6-8-16-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 257.36 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).