N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

C9H16F3NS — CID 106211070

IUPACN-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCSCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NS/c1-2-14-7-3-6-13-8(4-5-8)9(10,11)12/h13H,2-7H2,1H3
InChIKeyCJLJTZBDQHSZJP-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.81
Rot. Bonds6

About N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106211070) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106211070
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC NameN-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCSCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NS/c1-2-14-7-3-6-13-8(4-5-8)9(10,11)12/h13H,2-7H2,1H3
InChIKeyCJLJTZBDQHSZJP-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106211070) is N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is CCSCCCNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is CJLJTZBDQHSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-2-14-7-3-6-13-8(4-5-8)9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106211070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).