N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine

C8H18N2S — CID 106425385

IUPACN'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCCCN
InChIInChI=1S/C8H18N2S/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-9H2
InChIKeyNSPRHONCWSZDBQ-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.84
Rot. Bonds8

About N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine

N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (PubChem CID 106425385) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
PubChem CID106425385
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCCCN
InChIInChI=1S/C8H18N2S/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-9H2
InChIKeyNSPRHONCWSZDBQ-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
N-ethyl-4-[4-(ethylamino)but-1-enylsulfanyl]but-3-en-1-amine
CID 139829146
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100
1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474477
N-ethyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493114
N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 39101796
N-(2-tert-butylsulfanylethyl)prop-2-en-1-amine
CID 62577332
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
N-prop-2-enyl-2-propylsulfanylpropan-1-amine
CID 62577543
2-butylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62577844
2-ethylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62577948

Frequently Asked Questions

What is the IUPAC name of N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (CID 106425385) is N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine is C=CCSCCNCCCN.
What is the InChIKey of N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The InChIKey is NSPRHONCWSZDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-9H2.
What are the key properties of N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine has a molecular weight of 174.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine is sourced from PubChem (CID 106425385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).