N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine

C16H42N4OS2 — CID 171794528

IUPACN'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNCS(C)(C)OS(C)(C)CNCC(C)(C)CN
InChIInChI=1S/C16H42N4OS2/c1-15(2,9-17)11-19-13-22(5,6)21-23(7,8)14-20-12-16(3,4)10-18/h19-20H,9-14,17-18H2,1-8H3
InChIKeySJTJPSVTANBJAB-UHFFFAOYSA-N
MW370.67 g/mol
LogP2.03
Rot. Bonds12

About N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine

N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 171794528) has the molecular formula C16H42N4OS2 and a molecular weight of 370.67 g/mol. Its IUPAC name is N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID171794528
Molecular FormulaC16H42N4OS2
Molecular Weight370.67 g/mol
Exact Mass370.28
IUPAC NameN'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNCS(C)(C)OS(C)(C)CNCC(C)(C)CN
InChIInChI=1S/C16H42N4OS2/c1-15(2,9-17)11-19-13-22(5,6)21-23(7,8)14-20-12-16(3,4)10-18/h19-20H,9-14,17-18H2,1-8H3
InChIKeySJTJPSVTANBJAB-UHFFFAOYSA-N
XLogP2.03
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine with MolForge

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Related Compounds

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'-[[[[(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'-[[[dimethyl-[[3-(methylamino)propylamino]methyl]-lambda4-sulfanyl]oxy-dimethyl-lambda4-sulfanyl]methyl]-N'-methylpropane-1,3-diamine
CID 170954473

Frequently Asked Questions

What is the IUPAC name of N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine (CID 171794528) is N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CNCS(C)(C)OS(C)(C)CNCC(C)(C)CN.
What is the InChIKey of N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is SJTJPSVTANBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42N4OS2/c1-15(2,9-17)11-19-13-22(5,6)21-23(7,8)14-20-12-16(3,4)10-18/h19-20H,9-14,17-18H2,1-8H3.
What are the key properties of N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine?
N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 370.67 g/mol, XLogP of 2.03, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[[(3-amino-2,2-dimethylpropyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 171794528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).