(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine

C21H39NSi2 — CID 56935519

IUPAC(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine
SMILESCC[Si](CC)(CC)N(/C=C/Cc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C21H39NSi2/c1-7-23(8-2,9-3)22(24(10-4,11-5)12-6)20-16-19-21-17-14-13-15-18-21/h13-18,20H,7-12,19H2,1-6H3/b20-16+
InChIKeyYKEBKOAVXZTTKS-CAPFRKAQSA-N
MW361.72 g/mol
LogP7.06
Rot. Bonds11

About (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine

(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine (PubChem CID 56935519) has the molecular formula C21H39NSi2 and a molecular weight of 361.72 g/mol. Its IUPAC name is (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine
PubChem CID56935519
Molecular FormulaC21H39NSi2
Molecular Weight361.72 g/mol
Exact Mass361.26
IUPAC Name(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine
SMILESCC[Si](CC)(CC)N(/C=C/Cc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C21H39NSi2/c1-7-23(8-2,9-3)22(24(10-4,11-5)12-6)20-16-19-21-17-14-13-15-18-21/h13-18,20H,7-12,19H2,1-6H3/b20-16+
InChIKeyYKEBKOAVXZTTKS-CAPFRKAQSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.72
LogP ≤ 57.06
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 (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine?
The IUPAC name of (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine (CID 56935519) is (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine?
The canonical SMILES for (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine is CC[Si](CC)(CC)N(/C=C/Cc1ccccc1)[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine?
The InChIKey is YKEBKOAVXZTTKS-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H39NSi2/c1-7-23(8-2,9-3)22(24(10-4,11-5)12-6)20-16-19-21-17-14-13-15-18-21/h13-18,20H,7-12,19H2,1-6H3/b20-16+.
What are the key properties of (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine?
(E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine has a molecular weight of 361.72 g/mol, XLogP of 7.06, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N,N-bis(triethylsilyl)prop-1-en-1-amine is sourced from PubChem (CID 56935519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).