1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine

C8H17NS — CID 106797380

IUPAC1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine
SMILESCSCCC1(C(C)N)CC1
InChIInChI=1S/C8H17NS/c1-7(9)8(3-4-8)5-6-10-2/h7H,3-6,9H2,1-2H3
InChIKeyFJVFQCPILGUSFS-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine

1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine (PubChem CID 106797380) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine
PubChem CID106797380
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine
SMILESCSCCC1(C(C)N)CC1
InChIInChI=1S/C8H17NS/c1-7(9)8(3-4-8)5-6-10-2/h7H,3-6,9H2,1-2H3
InChIKeyFJVFQCPILGUSFS-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine (CID 106797380) is 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine is CSCCC1(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine?
The InChIKey is FJVFQCPILGUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9)8(3-4-8)5-6-10-2/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine?
1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfanylethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 106797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).