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

C10H19NS — CID 88860373

IUPACN-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C=C)CC
InChIInChI=1S/C10H19NS/c1-5-10(8-9-12-4)11(6-2)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyQFEPIVYZRCPEJN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.76
Rot. Bonds7

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

N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88860373) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88860373
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C=C)CC
InChIInChI=1S/C10H19NS/c1-5-10(8-9-12-4)11(6-2)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyQFEPIVYZRCPEJN-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
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-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine (CID 88860373) is N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine is C=CC(CCSC)N(C=C)CC.
What is the InChIKey of N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is QFEPIVYZRCPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-10(8-9-12-4)11(6-2)7-3/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine?
N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88860373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).