N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine

C16H40B2N6S — CID 15361367

IUPACN-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine
SMILESCCN(CC)B(N=S=NB(N(CC)CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H40B2N6S/c1-9-21(10-2)17(22(11-3)12-4)19-25-20-18(23(13-5)14-6)24(15-7)16-8/h9-16H2,1-8H3
InChIKeyYSIYOEQHCFKOPF-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.77
Rot. Bonds14

About N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine

N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine (PubChem CID 15361367) has the molecular formula C16H40B2N6S and a molecular weight of 370.23 g/mol. Its IUPAC name is N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine
PubChem CID15361367
Molecular FormulaC16H40B2N6S
Molecular Weight370.23 g/mol
Exact Mass370.32
IUPAC NameN-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine
SMILESCCN(CC)B(N=S=NB(N(CC)CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H40B2N6S/c1-9-21(10-2)17(22(11-3)12-4)19-25-20-18(23(13-5)14-6)24(15-7)16-8/h9-16H2,1-8H3
InChIKeyYSIYOEQHCFKOPF-UHFFFAOYSA-N
XLogP2.77
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-dimethylboranyl-N-ethylethanamine
CID 5326241
N-dibromoboranyl-N-ethylethanamine
CID 5326279
N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine
CID 121010924
N-ethyl-N-methanidylethanamine;rhenium
CID 59858121
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N-(chloromethylsulfanyl)-N-ethylethanamine
CID 12607780
dichlorosilane;propane
CID 157367979
CID 88775840
CID 88775840
N,N-diethylethanamine;ethane
CID 22114990
acetic acid;N,N-diethylacetamide
CID 174447974
N,N-diethylethanamine;pentafluoro-λ5-stibane
CID 88607097
N,N-diethylethanamine;bis(trifluoroborane)
CID 161426908

Frequently Asked Questions

What is the IUPAC name of N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine?
The IUPAC name of N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine (CID 15361367) is N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine.
What is the SMILES notation for N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine?
The canonical SMILES for N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine is CCN(CC)B(N=S=NB(N(CC)CC)N(CC)CC)N(CC)CC.
What is the InChIKey of N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine?
The InChIKey is YSIYOEQHCFKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40B2N6S/c1-9-21(10-2)17(22(11-3)12-4)19-25-20-18(23(13-5)14-6)24(15-7)16-8/h9-16H2,1-8H3.
What are the key properties of N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine?
N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine has a molecular weight of 370.23 g/mol, XLogP of 2.77, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine is sourced from PubChem (CID 15361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).