3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine

C12H22N2Si2 — CID 91600609

IUPAC3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine
SMILESC#CCN1[Si](C)(C)CC(C#CCN)[Si]1(C)C
InChIInChI=1S/C12H22N2Si2/c1-6-10-14-15(2,3)11-12(8-7-9-13)16(14,4)5/h1,12H,9-11,13H2,2-5H3
InChIKeyUXVHVQDYOSYJDU-UHFFFAOYSA-N
MW250.49 g/mol
LogP1.68
Rot. Bonds1

About 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine

3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine (PubChem CID 91600609) has the molecular formula C12H22N2Si2 and a molecular weight of 250.49 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine
PubChem CID91600609
Molecular FormulaC12H22N2Si2
Molecular Weight250.49 g/mol
Exact Mass250.13
IUPAC Name3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine
SMILESC#CCN1[Si](C)(C)CC(C#CCN)[Si]1(C)C
InChIInChI=1S/C12H22N2Si2/c1-6-10-14-15(2,3)11-12(8-7-9-13)16(14,4)5/h1,12H,9-11,13H2,2-5H3
InChIKeyUXVHVQDYOSYJDU-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine (CID 91600609) is 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine is C#CCN1[Si](C)(C)CC(C#CCN)[Si]1(C)C.
What is the InChIKey of 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine?
The InChIKey is UXVHVQDYOSYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2Si2/c1-6-10-14-15(2,3)11-12(8-7-9-13)16(14,4)5/h1,12H,9-11,13H2,2-5H3.
What are the key properties of 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine?
3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine has a molecular weight of 250.49 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyl-1-prop-2-ynyl-1,2,5-azadisilolidin-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 91600609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).