6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine

C10H20F3NS — CID 116534805

IUPAC6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
SMILESCSCCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-9(14-7-4-8-15-2)5-3-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeySGTVMJWEYNTHOH-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.45
Rot. Bonds8

About 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine

6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine (PubChem CID 116534805) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
PubChem CID116534805
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
SMILESCSCCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-9(14-7-4-8-15-2)5-3-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeySGTVMJWEYNTHOH-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.45
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

6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
4-(4-methylsulfanylbutylamino)pentan-1-ol
CID 115972036
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine (CID 116534805) is 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine is CSCCCNC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine?
The InChIKey is SGTVMJWEYNTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-9(14-7-4-8-15-2)5-3-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine?
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine is sourced from PubChem (CID 116534805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).