N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine

C8H21N3S — CID 19965199

IUPACN'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine
SMILESCCSNCCNCCCNC
InChIInChI=1S/C8H21N3S/c1-3-12-11-8-7-10-6-4-5-9-2/h9-11H,3-8H2,1-2H3
InChIKeyWNHJFGOTUPCLRB-UHFFFAOYSA-N
MW191.34 g/mol
LogP0.44
Rot. Bonds9

About N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine

N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine (PubChem CID 19965199) has the molecular formula C8H21N3S and a molecular weight of 191.34 g/mol. Its IUPAC name is N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine
PubChem CID19965199
Molecular FormulaC8H21N3S
Molecular Weight191.34 g/mol
Exact Mass191.15
IUPAC NameN'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine
SMILESCCSNCCNCCCNC
InChIInChI=1S/C8H21N3S/c1-3-12-11-8-7-10-6-4-5-9-2/h9-11H,3-8H2,1-2H3
InChIKeyWNHJFGOTUPCLRB-UHFFFAOYSA-N
XLogP0.44
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Propanethiol, 1-((3-aminopropyl)amino)-
CID 3078317
S-2-(3-methylaminopropylamino)ethanethiol
CID 146673
2-{[3-(Diethylamino)propyl]amino}ethanethiol
CID 262971
2,11-Dithio-5,8-diazadodecane
CID 129760676
3-[3-(Methylamino)propylamino]propane-1-thiol
CID 129037
2-[3-(2-Aminoethylamino)propylamino]ethanethiol
CID 10464868
1-(2-Aminoethylamino)propane-2-thiol
CID 20551176
1-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]propane-2-thiol
CID 20551183
1-(2-Aminoethylamino)butane-2-thiol
CID 20551205
2-[3-(Ethylamino)propylamino]ethanethiol
CID 21116588
3-[3-(Dimethylamino)propylamino]propanethial
CID 21983344
1,2-Dithia-5,8,11,14,17-pentazacycloicosane
CID 22285756

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine (CID 19965199) is N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine is CCSNCCNCCCNC.
What is the InChIKey of N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine?
The InChIKey is WNHJFGOTUPCLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S/c1-3-12-11-8-7-10-6-4-5-9-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine?
N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine has a molecular weight of 191.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 19965199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).