1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine

C11H20F3NS — CID 116616703

IUPAC1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCCCNC(CCCSC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NS/c1-2-7-15-10(9-5-6-9)4-3-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyGRZBIRWGTJYLQQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds8

About 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine

1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116616703) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116616703
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCCCNC(CCCSC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NS/c1-2-7-15-10(9-5-6-9)4-3-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyGRZBIRWGTJYLQQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
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

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
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
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290
N-(2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758494
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760023
N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760024
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116616703) is 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine is CCCNC(CCCSC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is GRZBIRWGTJYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-2-7-15-10(9-5-6-9)4-3-8-16-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine?
1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116616703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).