2-(tert-butylsulfanylmethyl)prop-2-en-1-amine

C8H17NS — CID 103068172

IUPAC2-(tert-butylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSC(C)(C)C
InChIInChI=1S/C8H17NS/c1-7(5-9)6-10-8(2,3)4/h1,5-6,9H2,2-4H3
InChIKeyCGUWGIBDWMUAAZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.03
Rot. Bonds3

About 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine

2-(tert-butylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068172) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068172
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(tert-butylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSC(C)(C)C
InChIInChI=1S/C8H17NS/c1-7(5-9)6-10-8(2,3)4/h1,5-6,9H2,2-4H3
InChIKeyCGUWGIBDWMUAAZ-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.03
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
2-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58683996
2-(2,3-Dimethylbut-2-enylsulfanyl)ethanamine
CID 58684281
1-(3-Methylbut-2-enylsulfanyl)propan-2-amine
CID 58684289
3-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58684385
3-(2,3-Dimethylbut-2-enylsulfanyl)propan-1-amine
CID 58684686
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

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine (CID 103068172) is 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine is C=C(CN)CSC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is CGUWGIBDWMUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(5-9)6-10-8(2,3)4/h1,5-6,9H2,2-4H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine?
2-(tert-butylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).