N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine

C19H29NSi2 — CID 10925472

IUPACN-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine
SMILESC[Si](C)(C)C#CCN(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H29NSi2/c1-21(2,3)16-10-14-20(15-11-17-22(4,5)6)18-19-12-8-7-9-13-19/h7-9,12-13H,14-15,18H2,1-6H3
InChIKeyLXYOPKUQTAZBHC-UHFFFAOYSA-N
MW327.62 g/mol
LogP4.25
Rot. Bonds4

About N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine

N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine (PubChem CID 10925472) has the molecular formula C19H29NSi2 and a molecular weight of 327.62 g/mol. Its IUPAC name is N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine
PubChem CID10925472
Molecular FormulaC19H29NSi2
Molecular Weight327.62 g/mol
Exact Mass327.18
IUPAC NameN-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine
SMILESC[Si](C)(C)C#CCN(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H29NSi2/c1-21(2,3)16-10-14-20(15-11-17-22(4,5)6)18-19-12-8-7-9-13-19/h7-9,12-13H,14-15,18H2,1-6H3
InChIKeyLXYOPKUQTAZBHC-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.62
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine?
The IUPAC name of N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine (CID 10925472) is N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine?
The canonical SMILES for N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine is C[Si](C)(C)C#CCN(CC#C[Si](C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine?
The InChIKey is LXYOPKUQTAZBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NSi2/c1-21(2,3)16-10-14-20(15-11-17-22(4,5)6)18-19-12-8-7-9-13-19/h7-9,12-13H,14-15,18H2,1-6H3.
What are the key properties of N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine?
N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine has a molecular weight of 327.62 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-trimethylsilyl-N-(3-trimethylsilylprop-2-ynyl)prop-2-yn-1-amine is sourced from PubChem (CID 10925472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).