2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine

C6H16N2S2 — CID 130899234

IUPAC2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine
SMILESCSSCCNC(C)CN
InChIInChI=1S/C6H16N2S2/c1-6(5-7)8-3-4-10-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyLVJMUPZYKMFWRD-UHFFFAOYSA-N
MW180.34 g/mol
LogP0.93
Rot. Bonds6

About 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine

2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine (PubChem CID 130899234) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine
PubChem CID130899234
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine
SMILESCSSCCNC(C)CN
InChIInChI=1S/C6H16N2S2/c1-6(5-7)8-3-4-10-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyLVJMUPZYKMFWRD-UHFFFAOYSA-N
XLogP0.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-methylsulfanylbutyl)propane-1,2-diamine
CID 103391056
2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
CID 106426592
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
(2S)-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 104867871
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
2-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1,2-diamine
CID 103389816
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
2-N-pent-3-ynylpropane-1,2-diamine
CID 116643455
N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
CID 103387588
2-methyl-3-(methyldisulfanyl)propan-1-amine
CID 87177035
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine (CID 130899234) is 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine is CSSCCNC(C)CN.
What is the InChIKey of 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine?
The InChIKey is LVJMUPZYKMFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-6(5-7)8-3-4-10-9-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine?
2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine has a molecular weight of 180.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 130899234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).