2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C13H23F3N2S — CID 106427092

IUPAC2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-11-5-2-1-4-10(11)12-6-3-7-17-12/h10-12,17-18H,1-9H2
InChIKeyQQHXJTZNRCOFMS-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.14
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 106427092) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID106427092
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCCC1C1CCCN1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-11-5-2-1-4-10(11)12-6-3-7-17-12/h10-12,17-18H,1-9H2
InChIKeyQQHXJTZNRCOFMS-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 106426945
2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 120914007
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309489
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 106289452
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116618109
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426795
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546596
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 106427092) is 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is FC(F)(F)SCCNC1CCCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is QQHXJTZNRCOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-11-5-2-1-4-10(11)12-6-3-7-17-12/h10-12,17-18H,1-9H2.
What are the key properties of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106427092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).