N-ethyl-5-methylsulfanylpent-1-en-3-amine

C8H17NS — CID 88563800

IUPACN-ethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)NCC
InChIInChI=1S/C8H17NS/c1-4-8(9-5-2)6-7-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyFZIXRSAQHJIDGV-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-5-methylsulfanylpent-1-en-3-amine

N-ethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88563800) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-ethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88563800
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-ethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)NCC
InChIInChI=1S/C8H17NS/c1-4-8(9-5-2)6-7-10-3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyFZIXRSAQHJIDGV-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of N-ethyl-5-methylsulfanylpent-1-en-3-amine (CID 88563800) is N-ethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-5-methylsulfanylpent-1-en-3-amine is C=CC(CCSC)NCC.
What is the InChIKey of N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is FZIXRSAQHJIDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8(9-5-2)6-7-10-3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-5-methylsulfanylpent-1-en-3-amine?
N-ethyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88563800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).