N-(2-prop-2-enylsulfanylethyl)propan-1-amine

C8H17NS — CID 106425331

IUPACN-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCC
InChIInChI=1S/C8H17NS/c1-3-5-9-6-8-10-7-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyWFRPUJBTOKOSSN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.91
Rot. Bonds7

About N-(2-prop-2-enylsulfanylethyl)propan-1-amine

N-(2-prop-2-enylsulfanylethyl)propan-1-amine (PubChem CID 106425331) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)propan-1-amine
PubChem CID106425331
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCC
InChIInChI=1S/C8H17NS/c1-3-5-9-6-8-10-7-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyWFRPUJBTOKOSSN-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.91
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-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427931
N-ethyl-3-prop-2-enylsulfinylpropan-1-amine
CID 13493121
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
N-[1-(2-methylprop-1-enylsulfanyl)ethyl]propan-1-amine
CID 89177780

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)propan-1-amine (CID 106425331) is N-(2-prop-2-enylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)propan-1-amine is C=CCSCCNCCC.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The InChIKey is WFRPUJBTOKOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-5-9-6-8-10-7-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
N-(2-prop-2-enylsulfanylethyl)propan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 106425331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).