N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine

C20H34B2N4 — CID 67739731

IUPACN-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine
SMILESCCNB(NCC)NCC.CN(C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN.C6H18BN3/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-4-8-7(9-5-2)10-6-3/h3-12H,1-2H3;8-10H,4-6H2,1-3H3
InChIKeyHWZIYRAYHXVYMR-UHFFFAOYSA-N
MW352.14 g/mol
LogP1.15
Rot. Bonds9

About N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine

N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine (PubChem CID 67739731) has the molecular formula C20H34B2N4 and a molecular weight of 352.14 g/mol. Its IUPAC name is N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine
PubChem CID67739731
Molecular FormulaC20H34B2N4
Molecular Weight352.14 g/mol
Exact Mass352.30
IUPAC NameN-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine
SMILESCCNB(NCC)NCC.CN(C)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN.C6H18BN3/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-4-8-7(9-5-2)10-6-3/h3-12H,1-2H3;8-10H,4-6H2,1-3H3
InChIKeyHWZIYRAYHXVYMR-UHFFFAOYSA-N
XLogP1.15
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine?
The IUPAC name of N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine (CID 67739731) is N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine.
What is the SMILES notation for N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine?
The canonical SMILES for N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine is CCNB(NCC)NCC.CN(C)B(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine?
The InChIKey is HWZIYRAYHXVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BN.C6H18BN3/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-4-8-7(9-5-2)10-6-3/h3-12H,1-2H3;8-10H,4-6H2,1-3H3.
What are the key properties of N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine?
N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine has a molecular weight of 352.14 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine is sourced from PubChem (CID 67739731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).