2-ethyl-3-methylsulfanylbut-3-en-1-amine

C7H15NS — CID 123947277

IUPAC2-ethyl-3-methylsulfanylbut-3-en-1-amine
SMILESC=C(SC)C(CC)CN
InChIInChI=1S/C7H15NS/c1-4-7(5-8)6(2)9-3/h7H,2,4-5,8H2,1,3H3
InChIKeyDCCFINNOHBHPQD-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.85
Rot. Bonds4

About 2-ethyl-3-methylsulfanylbut-3-en-1-amine

2-ethyl-3-methylsulfanylbut-3-en-1-amine (PubChem CID 123947277) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-ethyl-3-methylsulfanylbut-3-en-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methylsulfanylbut-3-en-1-amine
PubChem CID123947277
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-ethyl-3-methylsulfanylbut-3-en-1-amine
SMILESC=C(SC)C(CC)CN
InChIInChI=1S/C7H15NS/c1-4-7(5-8)6(2)9-3/h7H,2,4-5,8H2,1,3H3
InChIKeyDCCFINNOHBHPQD-UHFFFAOYSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3H-thiophen-2-yl)methanamine
CID 57267257
2-(2,3-Dihydrothiophen-3-yl)ethanamine
CID 89018226
(3R)-3-methyl-1-methylsulfanylpent-4-en-2-amine
CID 89082277
1-(3-Methylpent-1-en-2-ylsulfanyl)ethanamine
CID 123243887
2-ethyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 124011774
2-[Dimethyl(pent-1-en-2-yl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 134333006
3,4-dihydro-2H-thiopyran-4-ylmethanamine
CID 166776001
3-Methylsulfanylbut-3-en-1-amine
CID 166913544
3,4-Dimethyl-2,3-dihydrothiophen-2-amine
CID 175507457
(E)-3-methyl-5-methylsulfanylpent-4-en-1-amine
CID 55283871
3-Methylidene-4-(methylsulfanyl)butan-1-amine
CID 165980048

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylsulfanylbut-3-en-1-amine?
The IUPAC name of 2-ethyl-3-methylsulfanylbut-3-en-1-amine (CID 123947277) is 2-ethyl-3-methylsulfanylbut-3-en-1-amine.
What is the SMILES notation for 2-ethyl-3-methylsulfanylbut-3-en-1-amine?
The canonical SMILES for 2-ethyl-3-methylsulfanylbut-3-en-1-amine is C=C(SC)C(CC)CN.
What is the InChIKey of 2-ethyl-3-methylsulfanylbut-3-en-1-amine?
The InChIKey is DCCFINNOHBHPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-7(5-8)6(2)9-3/h7H,2,4-5,8H2,1,3H3.
What are the key properties of 2-ethyl-3-methylsulfanylbut-3-en-1-amine?
2-ethyl-3-methylsulfanylbut-3-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylsulfanylbut-3-en-1-amine is sourced from PubChem (CID 123947277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).