N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine

C9H20N2S — CID 112660799

IUPACN'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)CCSC
InChIInChI=1S/C9H20N2S/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyODJCLIXIMOMXLX-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.06
Rot. Bonds8

About N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine

N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 112660799) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID112660799
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)CCSC
InChIInChI=1S/C9H20N2S/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyODJCLIXIMOMXLX-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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Related Compounds

1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
1-[(2Z)-2-methylsulfanylpenta-2,4-dienyl]piperazine
CID 142187961
N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 144977013
3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
CID 154092502
2-Methylsulfanylethyl-bis(prop-2-enyl)azanium
CID 168757762
N'-ethyl-N-methylsulfanyl-N'-(1-methylsulfanylprop-2-enyl)ethane-1,2-diamine
CID 169950291
N-ethyl-N-methyl-3-methylsulfanylpropan-1-amine;(Z)-N-methylbut-2-en-1-amine
CID 170601600
N'-(2,3-dihydro-1,4-dithiin-5-ylmethyl)-N-methylethane-1,2-diamine
CID 174292869
N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 39101796
N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60685739

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine (CID 112660799) is N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)CCSC.
What is the InChIKey of N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is ODJCLIXIMOMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine?
N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-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'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 112660799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).