N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine

C10H20F3NS — CID 116616645

IUPACN-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CCCSC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3NS/c1-4-14-9(8(2)3)6-5-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyCAIYZOLZKCQUKA-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.65
Rot. Bonds7

About N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine

N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine (PubChem CID 116616645) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
PubChem CID116616645
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC NameN-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
SMILESCCNC(CCCSC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3NS/c1-4-14-9(8(2)3)6-5-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyCAIYZOLZKCQUKA-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.65
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

5,5,6,6,6-pentafluoro-N-methyl-4-[2-[4-(methylamino)-3-(1,1,2,2,2-pentafluoroethyl)hexyl]sulfanylethyl]hexan-3-amine
CID 88226834
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
CID 166766956
2-[(1,3-Difluoropropan-2-ylamino)methyl]pentane-1-thiol
CID 176676719
2-(1,1-Difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
CID 176942873
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567635
5,5,5-trifluoro-1-methylsulfanyl-N-propylpentan-2-amine
CID 64567636

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The IUPAC name of N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine (CID 116616645) is N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine is CCNC(CCCSC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
The InChIKey is CAIYZOLZKCQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-4-14-9(8(2)3)6-5-7-15-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine?
N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine has a molecular weight of 243.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine is sourced from PubChem (CID 116616645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).