(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine

C11H19NS — CID 12882480

IUPAC(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine
SMILESCCS/C=C/C#CCN(CC)CC
InChIInChI=1S/C11H19NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h9,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyZNPZGPZGTGRUOZ-PKNBQFBNSA-N
MW197.35 g/mol
LogP2.60
Rot. Bonds5

About (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine

(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine (PubChem CID 12882480) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine
PubChem CID12882480
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine
SMILESCCS/C=C/C#CCN(CC)CC
InChIInChI=1S/C11H19NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h9,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyZNPZGPZGTGRUOZ-PKNBQFBNSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Diethylaminoethyl vinyl sulfide
CID 10351961
2-(But-1-en-3-yn-1-ylsulfanyl)ethyldiethylamine
CID 74033311
N,N-diethyl-3-ethylsulfanylprop-2-yn-1-amine
CID 134987477
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 144748130
ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine
CID 145210274
N-(3-ethylsulfanylprop-2-ynyl)-N-propylbut-3-en-1-amine
CID 166901383
(E)-N,N-dimethyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 167047707
N-[dimethyl(prop-2-enyl)-lambda4-sulfanyl]-N-ethylethanamine
CID 170210008
(E)-3-[ethyl(dimethyl)-lambda4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
CID 174286816
Dimethyl-bis(prop-2-enyl)azanium;ethylsulfanylethane
CID 174857155
N,N-diethyl-2-prop-2-enylsulfanylethanamine
CID 4062140
2-[(E)-but-1-en-3-ynyl]sulfanyl-N,N-diethylethanamine
CID 12157376

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine?
The IUPAC name of (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine (CID 12882480) is (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine?
The canonical SMILES for (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine is CCS/C=C/C#CCN(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine?
The InChIKey is ZNPZGPZGTGRUOZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h9,11H,4-6,10H2,1-3H3/b11-9+.
What are the key properties of (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine?
(E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-5-ethylsulfanylpent-4-en-2-yn-1-amine is sourced from PubChem (CID 12882480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).