N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine

C23H33NSi — CID 140798512

IUPACN-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine
SMILESC=C(c1ccccc1)c1ccc(CCC[Si](C)(C)N(CC)CC)cc1
InChIInChI=1S/C23H33NSi/c1-6-24(7-2)25(4,5)19-11-12-21-15-17-23(18-16-21)20(3)22-13-9-8-10-14-22/h8-10,13-18H,3,6-7,11-12,19H2,1-2,4-5H3
InChIKeyXPIPLFJOYWYWSJ-UHFFFAOYSA-N
MW351.61 g/mol
LogP6.23
Rot. Bonds9

About N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine

N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine (PubChem CID 140798512) has the molecular formula C23H33NSi and a molecular weight of 351.61 g/mol. Its IUPAC name is N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine
PubChem CID140798512
Molecular FormulaC23H33NSi
Molecular Weight351.61 g/mol
Exact Mass351.24
IUPAC NameN-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine
SMILESC=C(c1ccccc1)c1ccc(CCC[Si](C)(C)N(CC)CC)cc1
InChIInChI=1S/C23H33NSi/c1-6-24(7-2)25(4,5)19-11-12-21-15-17-23(18-16-21)20(3)22-13-9-8-10-14-22/h8-10,13-18H,3,6-7,11-12,19H2,1-2,4-5H3
InChIKeyXPIPLFJOYWYWSJ-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine?
The IUPAC name of N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine (CID 140798512) is N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine.
What is the SMILES notation for N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine?
The canonical SMILES for N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine is C=C(c1ccccc1)c1ccc(CCC[Si](C)(C)N(CC)CC)cc1.
What is the InChIKey of N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine?
The InChIKey is XPIPLFJOYWYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NSi/c1-6-24(7-2)25(4,5)19-11-12-21-15-17-23(18-16-21)20(3)22-13-9-8-10-14-22/h8-10,13-18H,3,6-7,11-12,19H2,1-2,4-5H3.
What are the key properties of N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine?
N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine has a molecular weight of 351.61 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-[3-[4-(1-phenylethenyl)phenyl]propyl]silyl]-N-ethylethanamine is sourced from PubChem (CID 140798512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).