N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine

C11H22N4S — CID 118776621

IUPACN-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCN(C)CCCN(C)Cc1snnc1C
InChIInChI=1S/C11H22N4S/c1-5-14(3)7-6-8-15(4)9-11-10(2)12-13-16-11/h5-9H2,1-4H3
InChIKeyFIKGTZRUHHQOPX-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.62
Rot. Bonds7

About N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine

N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 118776621) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID118776621
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCN(C)CCCN(C)Cc1snnc1C
InChIInChI=1S/C11H22N4S/c1-5-14(3)7-6-8-15(4)9-11-10(2)12-13-16-11/h5-9H2,1-4H3
InChIKeyFIKGTZRUHHQOPX-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine (CID 118776621) is N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine is CCN(C)CCCN(C)Cc1snnc1C.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is FIKGTZRUHHQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-14(3)7-6-8-15(4)9-11-10(2)12-13-16-11/h5-9H2,1-4H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine?
N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[(4-methylthiadiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 118776621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).