formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate

C15H32N2O4S2 — CID 176998850

IUPACformaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate
SMILESC=O.COCCCN(C)CCSSCCN(C)CCCOC=O
InChIInChI=1S/C14H30N2O3S2.CH2O/c1-15(6-4-10-18-3)8-12-20-21-13-9-16(2)7-5-11-19-14-17;1-2/h14H,4-13H2,1-3H3;1H2
InChIKeyVXOXEXCLRBEJSS-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.65
Rot. Bonds16

About formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate

formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate (PubChem CID 176998850) has the molecular formula C15H32N2O4S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate.

Molecular Properties

Compound Nameformaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate
PubChem CID176998850
Molecular FormulaC15H32N2O4S2
Molecular Weight368.57 g/mol
Exact Mass368.18
IUPAC Nameformaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate
SMILESC=O.COCCCN(C)CCSSCCN(C)CCCOC=O
InChIInChI=1S/C14H30N2O3S2.CH2O/c1-15(6-4-10-18-3)8-12-20-21-13-9-16(2)7-5-11-19-14-17;1-2/h14H,4-13H2,1-3H3;1H2
InChIKeyVXOXEXCLRBEJSS-UHFFFAOYSA-N
XLogP1.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate
CID 176995754
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N'-[2-[2-[8-aminooctyl(methyl)amino]ethyldisulfanyl]ethyl]-N'-methyloctane-1,8-diamine
CID 12676116
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
1-ethenoxy-3-methoxypropane
CID 22058891
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine
CID 176996000

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate?
The IUPAC name of formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate (CID 176998850) is formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate.
What is the SMILES notation for formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate?
The canonical SMILES for formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate is C=O.COCCCN(C)CCSSCCN(C)CCCOC=O.
What is the InChIKey of formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate?
The InChIKey is VXOXEXCLRBEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S2.CH2O/c1-15(6-4-10-18-3)8-12-20-21-13-9-16(2)7-5-11-19-14-17;1-2/h14H,4-13H2,1-3H3;1H2.
What are the key properties of formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate?
formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate has a molecular weight of 368.57 g/mol, XLogP of 1.65, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate is sourced from PubChem (CID 176998850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).