1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine

C8H17NS — CID 123243887

IUPAC1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine
SMILESC=C(SC(C)N)C(C)CC
InChIInChI=1S/C8H17NS/c1-5-6(2)7(3)10-8(4)9/h6,8H,3,5,9H2,1-2,4H3
InChIKeyGYKPPXWHUABHQT-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine

1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine (PubChem CID 123243887) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine
PubChem CID123243887
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine
SMILESC=C(SC(C)N)C(C)CC
InChIInChI=1S/C8H17NS/c1-5-6(2)7(3)10-8(4)9/h6,8H,3,5,9H2,1-2,4H3
InChIKeyGYKPPXWHUABHQT-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
2-(1-Ethylsulfanylethenyl)-4-methylpentan-1-amine
CID 89339852
2-Ethyl-3-methylsulfanylbut-3-en-1-amine
CID 123947277
(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
CID 129207404
(1R,2S)-2-methyl-1-propan-2-ylsulfanylbut-3-en-1-amine
CID 130270341
2-[Dimethyl(pent-1-en-2-yl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 134333006
2-Butylsulfanyl-4-methylpent-1-en-3-amine
CID 155324401
2-Methyl-1-(3-methylbutylsulfanyl)prop-2-en-1-amine
CID 155472919
(Z)-3-methyl-2-propylsulfanylbut-1-en-1-amine
CID 169595473
1-(2-Methylpropylsulfanyl)pent-4-en-2-amine
CID 65135457
3-(2-Methylidenebutylsulfanyl)propan-1-amine
CID 66216867
2-(2-Methylidenebutylsulfanyl)propan-1-amine
CID 66217875

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine (CID 123243887) is 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine is C=C(SC(C)N)C(C)CC.
What is the InChIKey of 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine?
The InChIKey is GYKPPXWHUABHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-6(2)7(3)10-8(4)9/h6,8H,3,5,9H2,1-2,4H3.
What are the key properties of 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine?
1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpent-1-en-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 123243887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).