N-(2-ethylsulfanylethyl)prop-2-en-1-amine

C7H15NS — CID 62576296

IUPACN-(2-ethylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCNCCSCC
InChIInChI=1S/C7H15NS/c1-3-5-8-6-7-9-4-2/h3,8H,1,4-7H2,2H3
InChIKeyFYXSPKFLJLGYFS-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.52
Rot. Bonds6

About N-(2-ethylsulfanylethyl)prop-2-en-1-amine

N-(2-ethylsulfanylethyl)prop-2-en-1-amine (PubChem CID 62576296) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)prop-2-en-1-amine
PubChem CID62576296
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-(2-ethylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCNCCSCC
InChIInChI=1S/C7H15NS/c1-3-5-8-6-7-9-4-2/h3,8H,1,4-7H2,2H3
InChIKeyFYXSPKFLJLGYFS-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)prop-2-en-1-amine (CID 62576296) is N-(2-ethylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)prop-2-en-1-amine is C=CCNCCSCC.
What is the InChIKey of N-(2-ethylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is FYXSPKFLJLGYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-5-8-6-7-9-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of N-(2-ethylsulfanylethyl)prop-2-en-1-amine?
N-(2-ethylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 62576296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).