N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine

C21H39N3Si — CID 66742645

IUPACN-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine
SMILESC=C(C)c1ccc([Si](N(CC)CC)(N(CC)CC)N(CC)CC)cc1
InChIInChI=1S/C21H39N3Si/c1-9-22(10-2)25(23(11-3)12-4,24(13-5)14-6)21-17-15-20(16-18-21)19(7)8/h15-18H,7,9-14H2,1-6,8H3
InChIKeyLEAVASBLJRYFOR-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.89
Rot. Bonds11

About N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine

N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine (PubChem CID 66742645) has the molecular formula C21H39N3Si and a molecular weight of 361.65 g/mol. Its IUPAC name is N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine
PubChem CID66742645
Molecular FormulaC21H39N3Si
Molecular Weight361.65 g/mol
Exact Mass361.29
IUPAC NameN-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine
SMILESC=C(C)c1ccc([Si](N(CC)CC)(N(CC)CC)N(CC)CC)cc1
InChIInChI=1S/C21H39N3Si/c1-9-22(10-2)25(23(11-3)12-4,24(13-5)14-6)21-17-15-20(16-18-21)19(7)8/h15-18H,7,9-14H2,1-6,8H3
InChIKeyLEAVASBLJRYFOR-UHFFFAOYSA-N
XLogP3.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine?
The IUPAC name of N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine (CID 66742645) is N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine?
The canonical SMILES for N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine is C=C(C)c1ccc([Si](N(CC)CC)(N(CC)CC)N(CC)CC)cc1.
What is the InChIKey of N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine?
The InChIKey is LEAVASBLJRYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3Si/c1-9-22(10-2)25(23(11-3)12-4,24(13-5)14-6)21-17-15-20(16-18-21)19(7)8/h15-18H,7,9-14H2,1-6,8H3.
What are the key properties of N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine?
N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine has a molecular weight of 361.65 g/mol, XLogP of 3.89, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine is sourced from PubChem (CID 66742645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).