N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine

C10H26N4S — CID 142025853

IUPACN-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
SMILESCNCCCNCSCNCCCNC
InChIInChI=1S/C10H26N4S/c1-11-5-3-7-13-9-15-10-14-8-4-6-12-2/h11-14H,3-10H2,1-2H3
InChIKeyAELBMZXOOBYQOE-UHFFFAOYSA-N
MW234.41 g/mol
LogP0.03
Rot. Bonds12

About N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine

N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine (PubChem CID 142025853) has the molecular formula C10H26N4S and a molecular weight of 234.41 g/mol. Its IUPAC name is N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
PubChem CID142025853
Molecular FormulaC10H26N4S
Molecular Weight234.41 g/mol
Exact Mass234.19
IUPAC NameN-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
SMILESCNCCCNCSCNCCCNC
InChIInChI=1S/C10H26N4S/c1-11-5-3-7-13-9-15-10-14-8-4-6-12-2/h11-14H,3-10H2,1-2H3
InChIKeyAELBMZXOOBYQOE-UHFFFAOYSA-N
XLogP0.03
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine (CID 142025853) is N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine is CNCCCNCSCNCCCNC.
What is the InChIKey of N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine?
The InChIKey is AELBMZXOOBYQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4S/c1-11-5-3-7-13-9-15-10-14-8-4-6-12-2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine?
N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine has a molecular weight of 234.41 g/mol, XLogP of 0.03, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine is sourced from PubChem (CID 142025853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).