2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine

C6H16N2S2 — CID 121369625

IUPAC2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)SSCCN
InChIInChI=1S/C6H16N2S2/c1-6(2,5-8)10-9-4-3-7/h3-5,7-8H2,1-2H3
InChIKeyDENHFTOGFFJEFR-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.06
Rot. Bonds5

About 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine

2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine (PubChem CID 121369625) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine
PubChem CID121369625
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)SSCCN
InChIInChI=1S/C6H16N2S2/c1-6(2,5-8)10-9-4-3-7/h3-5,7-8H2,1-2H3
InChIKeyDENHFTOGFFJEFR-UHFFFAOYSA-N
XLogP1.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.06
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

1-amino-3-(2-aminoethyldisulfanyl)-3-methylbutane-1-sulfonic acid
CID 175821762
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
2-(but-2-ynoxymethyldisulfanyl)-2-methylpropan-1-amine
CID 146433508
2-methyl-2-(prop-2-ynoxymethyldisulfanyl)propan-1-amine
CID 145286023
2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
CID 160817731
2-methyl-2-[(4-methylphenyl)disulfanyl]propan-1-amine
CID 174056253
N-[2-(2-aminoethyldisulfanyl)ethyl]-N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 87509378
2-methyl-2-nitrososulfanylpropan-1-amine;hydrochloride
CID 10419606
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
2-(2-methylundecan-2-ylsulfanyl)ethanamine
CID 23451912
2-(2,2-difluoropropylsulfanyl)ethanamine;hydrochloride
CID 130237508
2,2-dimethylpropane-1,3-diamine
CID 162099967

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine (CID 121369625) is 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine is CC(C)(CN)SSCCN.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine?
The InChIKey is DENHFTOGFFJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-6(2,5-8)10-9-4-3-7/h3-5,7-8H2,1-2H3.
What are the key properties of 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine?
2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine has a molecular weight of 180.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 121369625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).