N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine

C9H20N2S — CID 106428078

IUPACN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCN(C)C
InChIInChI=1S/C9H20N2S/c1-4-8-12-9-6-10-5-7-11(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyOJJSZKQJXOLSQQ-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.06
Rot. Bonds8

About N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (PubChem CID 106428078) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
PubChem CID106428078
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine
SMILESC=CCSCCNCCN(C)C
InChIInChI=1S/C9H20N2S/c1-4-8-12-9-6-10-5-7-11(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyOJJSZKQJXOLSQQ-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine (CID 106428078) is N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is C=CCSCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is OJJSZKQJXOLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-8-12-9-6-10-5-7-11(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106428078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).