(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine

C7H16N2S — CID 118617032

IUPAC(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine
SMILESCN/C(=C\SC)CN(C)C
InChIInChI=1S/C7H16N2S/c1-8-7(6-10-4)5-9(2)3/h6,8H,5H2,1-4H3/b7-6-
InChIKeyGNYTVXSYWMLIFB-SREVYHEPSA-N
MW160.29 g/mol
LogP0.97
Rot. Bonds4

About (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine

(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine (PubChem CID 118617032) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine
PubChem CID118617032
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine
SMILESCN/C(=C\SC)CN(C)C
InChIInChI=1S/C7H16N2S/c1-8-7(6-10-4)5-9(2)3/h6,8H,5H2,1-4H3/b7-6-
InChIKeyGNYTVXSYWMLIFB-SREVYHEPSA-N
XLogP0.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine?
The IUPAC name of (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine (CID 118617032) is (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine is CN/C(=C\SC)CN(C)C.
What is the InChIKey of (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine?
The InChIKey is GNYTVXSYWMLIFB-SREVYHEPSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8-7(6-10-4)5-9(2)3/h6,8H,5H2,1-4H3/b7-6-.
What are the key properties of (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine?
(Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine has a molecular weight of 160.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,1-N,2-N-trimethyl-3-methylsulfanylprop-2-ene-1,2-diamine is sourced from PubChem (CID 118617032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).