2-(cyclobutylmethylsulfanyl)ethanamine

C7H15NS — CID 58684056

IUPAC2-(cyclobutylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCC1
InChIInChI=1S/C7H15NS/c8-4-5-9-6-7-2-1-3-7/h7H,1-6,8H2
InChIKeyKLSDRHABHMQFHX-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.48
Rot. Bonds4

About 2-(cyclobutylmethylsulfanyl)ethanamine

2-(cyclobutylmethylsulfanyl)ethanamine (PubChem CID 58684056) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(cyclobutylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(cyclobutylmethylsulfanyl)ethanamine
PubChem CID58684056
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(cyclobutylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCC1
InChIInChI=1S/C7H15NS/c8-4-5-9-6-7-2-1-3-7/h7H,1-6,8H2
InChIKeyKLSDRHABHMQFHX-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.48
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 2-(cyclobutylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(cyclobutylmethylsulfanyl)ethanamine (CID 58684056) is 2-(cyclobutylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(cyclobutylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(cyclobutylmethylsulfanyl)ethanamine is NCCSCC1CCC1.
What is the InChIKey of 2-(cyclobutylmethylsulfanyl)ethanamine?
The InChIKey is KLSDRHABHMQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c8-4-5-9-6-7-2-1-3-7/h7H,1-6,8H2.
What are the key properties of 2-(cyclobutylmethylsulfanyl)ethanamine?
2-(cyclobutylmethylsulfanyl)ethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylsulfanyl)ethanamine is sourced from PubChem (CID 58684056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).