(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine

C12H25NS — CID 134923136

IUPAC(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
SMILESCCCC/C=C(/SCC)N(CC)CC
InChIInChI=1S/C12H25NS/c1-5-9-10-11-12(14-8-4)13(6-2)7-3/h11H,5-10H2,1-4H3/b12-11+
InChIKeyMGUZWNSKSIYTIQ-VAWYXSNFSA-N
MW215.41 g/mol
LogP4.11
Rot. Bonds8

About (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine

(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine (PubChem CID 134923136) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
PubChem CID134923136
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
SMILESCCCC/C=C(/SCC)N(CC)CC
InChIInChI=1S/C12H25NS/c1-5-9-10-11-12(14-8-4)13(6-2)7-3/h11H,5-10H2,1-4H3/b12-11+
InChIKeyMGUZWNSKSIYTIQ-VAWYXSNFSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Diethylamino-1-propenyl-mercapto)ethyl hydrosulfide
CID 86107261
(E)-1-(diethylamino)hex-1-ene-1-thiolate
CID 134875842
(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
CID 134923052
(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
CID 134923287
2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
CID 123459159
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
CID 123995452
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
CID 139538978
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819
(E)-N,N-diethyl-3-methylsulfanylbut-1-en-1-amine;ethane
CID 144019462
(E)-N,N-diethyl-3-methylsulfanylbut-1-en-1-amine
CID 144019463

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine (CID 134923136) is (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine is CCCC/C=C(/SCC)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine?
The InChIKey is MGUZWNSKSIYTIQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-9-10-11-12(14-8-4)13(6-2)7-3/h11H,5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine?
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine has a molecular weight of 215.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine is sourced from PubChem (CID 134923136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).