(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine

C10H22N2S — CID 118617272

IUPAC(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
SMILESCCS/C=C(/CCN(C)CC)NC
InChIInChI=1S/C10H22N2S/c1-5-12(4)8-7-10(11-3)9-13-6-2/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyGPFUVKYSPDZNMQ-KTKRTIGZSA-N
MW202.37 g/mol
LogP2.14
Rot. Bonds7

About (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine

(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine (PubChem CID 118617272) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
PubChem CID118617272
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine
SMILESCCS/C=C(/CCN(C)CC)NC
InChIInChI=1S/C10H22N2S/c1-5-12(4)8-7-10(11-3)9-13-6-2/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyGPFUVKYSPDZNMQ-KTKRTIGZSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.14
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-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine (CID 118617272) is (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine is CCS/C=C(/CCN(C)CC)NC.
What is the InChIKey of (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine?
The InChIKey is GPFUVKYSPDZNMQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H22N2S/c1-5-12(4)8-7-10(11-3)9-13-6-2/h9,11H,5-8H2,1-4H3/b10-9-.
What are the key properties of (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine?
(Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-4-ethylsulfanyl-1-N,3-N-dimethylbut-3-ene-1,3-diamine is sourced from PubChem (CID 118617272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).