2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine

C18H26N4S2 — CID 101109360

IUPAC2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
SMILESc1ccc(CCNCCSSCCNCCc2ccccn2)nc1
InChIInChI=1S/C18H26N4S2/c1-3-9-21-17(5-1)7-11-19-13-15-23-24-16-14-20-12-8-18-6-2-4-10-22-18/h1-6,9-10,19-20H,7-8,11-16H2
InChIKeyNFPMJFYHGCUNNE-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.82
Rot. Bonds13

About 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine

2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine (PubChem CID 101109360) has the molecular formula C18H26N4S2 and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
PubChem CID101109360
Molecular FormulaC18H26N4S2
Molecular Weight362.57 g/mol
Exact Mass362.16
IUPAC Name2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
SMILESc1ccc(CCNCCSSCCNCCc2ccccn2)nc1
InChIInChI=1S/C18H26N4S2/c1-3-9-21-17(5-1)7-11-19-13-15-23-24-16-14-20-12-8-18-6-2-4-10-22-18/h1-6,9-10,19-20H,7-8,11-16H2
InChIKeyNFPMJFYHGCUNNE-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
CID 113245480
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine (CID 101109360) is 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine is c1ccc(CCNCCSSCCNCCc2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine?
The InChIKey is NFPMJFYHGCUNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S2/c1-3-9-21-17(5-1)7-11-19-13-15-23-24-16-14-20-12-8-18-6-2-4-10-22-18/h1-6,9-10,19-20H,7-8,11-16H2.
What are the key properties of 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine?
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine has a molecular weight of 362.57 g/mol, XLogP of 2.82, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine is sourced from PubChem (CID 101109360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).