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

C10H22N2S — CID 106427782

IUPACN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCCCN(C)C
InChIInChI=1S/C10H22N2S/c1-4-9-13-10-7-11-6-5-8-12(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyJWKZARKUOTUMBS-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.45
Rot. Bonds9

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

N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (PubChem CID 106427782) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
PubChem CID106427782
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCCCN(C)C
InChIInChI=1S/C10H22N2S/c1-4-9-13-10-7-11-6-5-8-12(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyJWKZARKUOTUMBS-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.45
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)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (CID 106427782) is N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine is C=CCSCCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The InChIKey is JWKZARKUOTUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-4-9-13-10-7-11-6-5-8-12(2)3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.45, 9 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)propane-1,3-diamine is sourced from PubChem (CID 106427782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).