N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine

C12H28B2Cl2N2 — CID 121010924

IUPACN-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine
SMILESCCN(CC)B(Cl)CCCCB(Cl)N(CC)CC
InChIInChI=1S/C12H28B2Cl2N2/c1-5-17(6-2)13(15)11-9-10-12-14(16)18(7-3)8-4/h5-12H2,1-4H3
InChIKeyGEUXNSDTPVHSTB-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.90
Rot. Bonds11

About N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine

N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine (PubChem CID 121010924) has the molecular formula C12H28B2Cl2N2 and a molecular weight of 292.90 g/mol. Its IUPAC name is N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine
PubChem CID121010924
Molecular FormulaC12H28B2Cl2N2
Molecular Weight292.90 g/mol
Exact Mass292.18
IUPAC NameN-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine
SMILESCCN(CC)B(Cl)CCCCB(Cl)N(CC)CC
InChIInChI=1S/C12H28B2Cl2N2/c1-5-17(6-2)13(15)11-9-10-12-14(16)18(7-3)8-4/h5-12H2,1-4H3
InChIKeyGEUXNSDTPVHSTB-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dimethylboranyl-N-ethylethanamine
CID 5326241
N-[[[bis(diethylamino)boranylimino-lambda4-sulfanylidene]amino]-(diethylamino)boranyl]-N-ethylethanamine
CID 15361367
N-dibromoboranyl-N-ethylethanamine
CID 5326279
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-Diethylethanamine--trichlorogermane (1/1)
CID 73182129
N,N-diethylethanamine;bis(trifluoroborane)
CID 161426908
dichlorocopper;N,N-diethylethanamine
CID 88694959
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine chloride
CID 22292735
bis(N,N-diethylethanamine);dihydrate
CID 173331052

Frequently Asked Questions

What is the IUPAC name of N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine?
The IUPAC name of N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine (CID 121010924) is N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine is CCN(CC)B(Cl)CCCCB(Cl)N(CC)CC.
What is the InChIKey of N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine?
The InChIKey is GEUXNSDTPVHSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28B2Cl2N2/c1-5-17(6-2)13(15)11-9-10-12-14(16)18(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine?
N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine has a molecular weight of 292.90 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-[4-[chloro(diethylamino)boranyl]butyl]boranyl]-N-ethylethanamine is sourced from PubChem (CID 121010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).