3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine

C27H59NSi4 — CID 58098376

IUPAC3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine
SMILESC=CC[Si](C)(C)CCC[Si](CCCN)(CCC[Si](C)(C)CC=C)CCC[Si](C)(C)CC=C
InChIInChI=1S/C27H59NSi4/c1-10-18-29(4,5)21-14-25-32(24-13-17-28,26-15-22-30(6,7)19-11-2)27-16-23-31(8,9)20-12-3/h10-12H,1-3,13-28H2,4-9H3
InChIKeyFSSPNAVVTFPKNM-UHFFFAOYSA-N
MW510.12 g/mol
LogP9.64
Rot. Bonds21

About 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine

3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine (PubChem CID 58098376) has the molecular formula C27H59NSi4 and a molecular weight of 510.12 g/mol. Its IUPAC name is 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine.

Molecular Properties

Compound Name3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine
PubChem CID58098376
Molecular FormulaC27H59NSi4
Molecular Weight510.12 g/mol
Exact Mass509.37
IUPAC Name3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine
SMILESC=CC[Si](C)(C)CCC[Si](CCCN)(CCC[Si](C)(C)CC=C)CCC[Si](C)(C)CC=C
InChIInChI=1S/C27H59NSi4/c1-10-18-29(4,5)21-14-25-32(24-13-17-28,26-15-22-30(6,7)19-11-2)27-16-23-31(8,9)20-12-3/h10-12H,1-3,13-28H2,4-9H3
InChIKeyFSSPNAVVTFPKNM-UHFFFAOYSA-N
XLogP9.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.12
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine?
The IUPAC name of 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine (CID 58098376) is 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine.
What is the SMILES notation for 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine?
The canonical SMILES for 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine is C=CC[Si](C)(C)CCC[Si](CCCN)(CCC[Si](C)(C)CC=C)CCC[Si](C)(C)CC=C.
What is the InChIKey of 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine?
The InChIKey is FSSPNAVVTFPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59NSi4/c1-10-18-29(4,5)21-14-25-32(24-13-17-28,26-15-22-30(6,7)19-11-2)27-16-23-31(8,9)20-12-3/h10-12H,1-3,13-28H2,4-9H3.
What are the key properties of 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine?
3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine has a molecular weight of 510.12 g/mol, XLogP of 9.64, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris[3-[dimethyl(prop-2-enyl)silyl]propyl]silyl]propan-1-amine is sourced from PubChem (CID 58098376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).