2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine

C9H19NS — CID 102640434

IUPAC2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCSCC
InChIInChI=1S/C9H19NS/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3
InChIKeyKCYOGBKJKJPMRE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine

2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine (PubChem CID 102640434) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine
PubChem CID102640434
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)CCSCC
InChIInChI=1S/C9H19NS/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3
InChIKeyKCYOGBKJKJPMRE-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.28
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

2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640349
(5Z)-4,4,7,7-tetramethyl-3,8-dihydro-2H-thiocin-2-amine
CID 163368473
3-Pent-4-enylsulfanylbutan-1-amine
CID 66228837
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640361
2-(2-Ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383
N,2-dimethyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640448
2-ethenyl-5-ethylsulfanyl-N,2-dimethylpentan-1-amine
CID 102640560
2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640612
N-ethyl-2-methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640624
N-ethyl-2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640777

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine (CID 102640434) is 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CN)CCSCC.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine?
The InChIKey is KCYOGBKJKJPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9(3,8-10)6-7-11-5-2/h4H,1,5-8,10H2,2-3H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine?
2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).