(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine

C9H20N2S — CID 118616722

IUPAC(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine
SMILESCCN(C)CC/C(=C/SC)NC
InChIInChI=1S/C9H20N2S/c1-5-11(3)7-6-9(10-2)8-12-4/h8,10H,5-7H2,1-4H3/b9-8-
InChIKeyMSPUIATZUTXZKF-HJWRWDBZSA-N
MW188.34 g/mol
LogP1.75
Rot. Bonds6

About (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine

(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine (PubChem CID 118616722) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine
PubChem CID118616722
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine
SMILESCCN(C)CC/C(=C/SC)NC
InChIInChI=1S/C9H20N2S/c1-5-11(3)7-6-9(10-2)8-12-4/h8,10H,5-7H2,1-4H3/b9-8-
InChIKeyMSPUIATZUTXZKF-HJWRWDBZSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine (CID 118616722) is (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine is CCN(C)CC/C(=C/SC)NC.
What is the InChIKey of (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine?
The InChIKey is MSPUIATZUTXZKF-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H20N2S/c1-5-11(3)7-6-9(10-2)8-12-4/h8,10H,5-7H2,1-4H3/b9-8-.
What are the key properties of (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine?
(Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-1-N,3-N-dimethyl-4-methylsulfanylbut-3-ene-1,3-diamine is sourced from PubChem (CID 118616722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).