N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine

C13H29NO2S2 — CID 163281710

IUPACN-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine
SMILESCCOCCCCOC(C)SSCCNC(C)C
InChIInChI=1S/C13H29NO2S2/c1-5-15-9-6-7-10-16-13(4)18-17-11-8-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyICQQGPNYCOHNFY-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.55
Rot. Bonds13

About N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine

N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine (PubChem CID 163281710) has the molecular formula C13H29NO2S2 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine
PubChem CID163281710
Molecular FormulaC13H29NO2S2
Molecular Weight295.51 g/mol
Exact Mass295.16
IUPAC NameN-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine
SMILESCCOCCCCOC(C)SSCCNC(C)C
InChIInChI=1S/C13H29NO2S2/c1-5-15-9-6-7-10-16-13(4)18-17-11-8-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyICQQGPNYCOHNFY-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
8-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]octan-4-one
CID 139445208
6-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]hexan-2-one
CID 153336667
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
N-(2-decoxyethyl)propan-2-amine
CID 63399572
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
CID 155760558
CID 155760558
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine
CID 82929077
N-(4-methylpent-2-ynyl)-2-[2-[1-[2-(propan-2-ylamino)ethyldisulfanyl]propoxy]ethoxy]acetamide
CID 162478707

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine (CID 163281710) is N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine is CCOCCCCOC(C)SSCCNC(C)C.
What is the InChIKey of N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine?
The InChIKey is ICQQGPNYCOHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S2/c1-5-15-9-6-7-10-16-13(4)18-17-11-8-14-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine?
N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine is sourced from PubChem (CID 163281710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).