(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine

C10H21NS — CID 134923118

IUPAC(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
SMILESCCCC/C=C(/SCC)N(C)C
InChIInChI=1S/C10H21NS/c1-5-7-8-9-10(11(3)4)12-6-2/h9H,5-8H2,1-4H3/b10-9+
InChIKeyZFOJJYQTUQVXTK-MDZDMXLPSA-N
MW187.35 g/mol
LogP3.33
Rot. Bonds6

About (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine

(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine (PubChem CID 134923118) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
PubChem CID134923118
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
SMILESCCCC/C=C(/SCC)N(C)C
InChIInChI=1S/C10H21NS/c1-5-7-8-9-10(11(3)4)12-6-2/h9H,5-8H2,1-4H3/b10-9+
InChIKeyZFOJJYQTUQVXTK-MDZDMXLPSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.33
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

(E)-1-(dimethylamino)hex-1-ene-1-thiolate
CID 134875767
(E)-N,N-dimethyl-1-methylsulfanylpent-1-en-1-amine
CID 134923052
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(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
5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine
CID 163694542

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine?
The IUPAC name of (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine (CID 134923118) is (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine.
What is the SMILES notation for (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine?
The canonical SMILES for (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine is CCCC/C=C(/SCC)N(C)C.
What is the InChIKey of (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine?
The InChIKey is ZFOJJYQTUQVXTK-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-7-8-9-10(11(3)4)12-6-2/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine?
(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine is sourced from PubChem (CID 134923118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).