2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine

C10H21NS — CID 102640612

IUPAC2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCSCC)CNC
InChIInChI=1S/C10H21NS/c1-5-10(3,9-11-4)7-8-12-6-2/h5,11H,1,6-9H2,2-4H3
InChIKeyGFPKLDRXDPHYQI-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine

2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640612) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
PubChem CID102640612
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCSCC)CNC
InChIInChI=1S/C10H21NS/c1-5-10(3,9-11-4)7-8-12-6-2/h5,11H,1,6-9H2,2-4H3
InChIKeyGFPKLDRXDPHYQI-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640526
N-ethyl-2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640695
2-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640861
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
CID 123829902
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
CID 155439741
N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine
CID 167244832
2-(3-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
5-Methyl-2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510644
5-Methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510648
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383
2-(2-Ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640434

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine (CID 102640612) is 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCSCC)CNC.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is GFPKLDRXDPHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(3,9-11-4)7-8-12-6-2/h5,11H,1,6-9H2,2-4H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine?
2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).