N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine

C24H45BN2Si — CID 15504013

IUPACN-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine
SMILESCCCCCC/C(=C/B(N(CC)CC)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H45BN2Si/c1-8-13-14-16-21-24(28(6,7)23-19-17-15-18-20-23)22-25(26(9-2)10-3)27(11-4)12-5/h15,17-20,22H,8-14,16,21H2,1-7H3/b24-22-
InChIKeyHHYOWWJMLRHVNA-GYHWCHFESA-N
MW400.54 g/mol
LogP5.75
Rot. Bonds14

About N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine

N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine (PubChem CID 15504013) has the molecular formula C24H45BN2Si and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine
PubChem CID15504013
Molecular FormulaC24H45BN2Si
Molecular Weight400.54 g/mol
Exact Mass400.34
IUPAC NameN-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine
SMILESCCCCCC/C(=C/B(N(CC)CC)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H45BN2Si/c1-8-13-14-16-21-24(28(6,7)23-19-17-15-18-20-23)22-25(26(9-2)10-3)27(11-4)12-5/h15,17-20,22H,8-14,16,21H2,1-7H3/b24-22-
InChIKeyHHYOWWJMLRHVNA-GYHWCHFESA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 55.75
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine (CID 15504013) is N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine is CCCCCC/C(=C/B(N(CC)CC)N(CC)CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine?
The InChIKey is HHYOWWJMLRHVNA-GYHWCHFESA-N. The full InChI is InChI=1S/C24H45BN2Si/c1-8-13-14-16-21-24(28(6,7)23-19-17-15-18-20-23)22-25(26(9-2)10-3)27(11-4)12-5/h15,17-20,22H,8-14,16,21H2,1-7H3/b24-22-.
What are the key properties of N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine?
N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine has a molecular weight of 400.54 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-[(Z)-2-[dimethyl(phenyl)silyl]oct-1-enyl]boranyl]-N-ethylethanamine is sourced from PubChem (CID 15504013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).