2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine

C8H17NS — CID 103068144

IUPAC2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSCC(C)C
InChIInChI=1S/C8H17NS/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3
InChIKeyJYLPSHOSSIOMEO-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.89
Rot. Bonds5

About 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine

2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068144) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068144
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSCC(C)C
InChIInChI=1S/C8H17NS/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3
InChIKeyJYLPSHOSSIOMEO-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-2-enylsulfanyl)ethanamine
CID 24692043
2-Pentylsulfanylprop-2-en-1-amine
CID 58150589
3-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58684385
3-[(E)-2-methylbut-2-enyl]sulfanylpropan-1-amine
CID 58684732
3-(2-Methylprop-2-enylsulfanyl)propan-1-amine
CID 58684960
3-(2-Methylbut-2-enylsulfanyl)propan-1-amine
CID 72391247
2-Methyl-1-methylsulfanylprop-2-en-1-amine
CID 123189623
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
(Z)-2-butan-2-ylsulfanyl-3-methylbut-1-en-1-amine
CID 129207404
(E)-2-methyl-3-prop-1-en-2-ylsulfanylprop-2-en-1-amine
CID 144209858
2-Methyl-1-(3-methylbutylsulfanyl)prop-2-en-1-amine
CID 155472919
(Z)-3-methyl-2-(2-methylprop-1-enylsulfanyl)but-1-en-1-amine
CID 167129759

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (CID 103068144) is 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is C=C(CN)CSCC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is JYLPSHOSSIOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?
2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).