N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine

C6H18N4S2 — CID 174672019

IUPACN'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine
SMILESNCCNCSSCNCCN
InChIInChI=1S/C6H18N4S2/c7-1-3-9-5-11-12-6-10-4-2-8/h9-10H,1-8H2
InChIKeyJVVHJJAZGIZLNM-UHFFFAOYSA-N
MW210.37 g/mol
LogP-0.62
Rot. Bonds9

About N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine

N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine (PubChem CID 174672019) has the molecular formula C6H18N4S2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine
PubChem CID174672019
Molecular FormulaC6H18N4S2
Molecular Weight210.37 g/mol
Exact Mass210.10
IUPAC NameN'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine
SMILESNCCNCSSCNCCN
InChIInChI=1S/C6H18N4S2/c7-1-3-9-5-11-12-6-10-4-2-8/h9-10H,1-8H2
InChIKeyJVVHJJAZGIZLNM-UHFFFAOYSA-N
XLogP-0.62
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine (CID 174672019) is N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine is NCCNCSSCNCCN.
What is the InChIKey of N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine?
The InChIKey is JVVHJJAZGIZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4S2/c7-1-3-9-5-11-12-6-10-4-2-8/h9-10H,1-8H2.
What are the key properties of N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine?
N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine has a molecular weight of 210.37 g/mol, XLogP of -0.62, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2-aminoethylamino)methyldisulfanyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 174672019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).