N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine

C14H38N4OS2 — CID 170954473

IUPACN'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCNCCCNCS(C)(C)OS(C)(C)CN(C)CCCN
InChIInChI=1S/C14H38N4OS2/c1-16-10-8-11-17-13-20(3,4)19-21(5,6)14-18(2)12-7-9-15/h16-17H,7-15H2,1-6H3
InChIKeyNDUAQAUXBFUVQG-UHFFFAOYSA-N
MW342.62 g/mol
LogP1.36
Rot. Bonds13

About N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine

N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine (PubChem CID 170954473) has the molecular formula C14H38N4OS2 and a molecular weight of 342.62 g/mol. Its IUPAC name is N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
PubChem CID170954473
Molecular FormulaC14H38N4OS2
Molecular Weight342.62 g/mol
Exact Mass342.25
IUPAC NameN'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
SMILESCNCCCNCS(C)(C)OS(C)(C)CN(C)CCCN
InChIInChI=1S/C14H38N4OS2/c1-16-10-8-11-17-13-20(3,4)19-21(5,6)14-18(2)12-7-9-15/h16-17H,7-15H2,1-6H3
InChIKeyNDUAQAUXBFUVQG-UHFFFAOYSA-N
XLogP1.36
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[[3-(methylamino)propylamino]methylsulfanylmethyl]propane-1,3-diamine
CID 142025853
N',N'-dimethylpropane-1,3-diamine;ethane;methylsulfinylmethane
CID 145388824
N'-[[[[3-aminopropyl(methyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954460
N'-[[[(3-aminopropylamino)methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]propane-1,3-diamine
CID 170954462
N'-[[[dimethyl-[[2-(methylamino)ethylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
CID 170954464
N'-[[[[(3-amino-2-methylpropyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-2-methylpropane-1,3-diamine
CID 170954465
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine;N-methyl-N'-propylpropane-1,3-diamine
CID 170954466
N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
CID 170954469
N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine
CID 171794528
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine;N'-methyl-N'-propylpropane-1,3-diamine
CID 171794530
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N-methylpropane-1,3-diamine
CID 170954467
N'-[[dimethyl(methylsulfanyloxy)-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 171794531

Frequently Asked Questions

What is the IUPAC name of N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine (CID 170954473) is N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine is CNCCCNCS(C)(C)OS(C)(C)CN(C)CCCN.
What is the InChIKey of N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is NDUAQAUXBFUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38N4OS2/c1-16-10-8-11-17-13-20(3,4)19-21(5,6)14-18(2)12-7-9-15/h16-17H,7-15H2,1-6H3.
What are the key properties of N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine?
N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 342.62 g/mol, XLogP of 1.36, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 170954473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).