3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine

C12H29NOSi — CID 164773914

IUPAC3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine
SMILESCC(C)O[Si](CCCN)(C(C)C)C(C)C
InChIInChI=1S/C12H29NOSi/c1-10(2)14-15(11(3)4,12(5)6)9-7-8-13/h10-12H,7-9,13H2,1-6H3
InChIKeyZRVNLPPNGRCVNQ-UHFFFAOYSA-N
MW231.46 g/mol
LogP3.53
Rot. Bonds7

About 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine

3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine (PubChem CID 164773914) has the molecular formula C12H29NOSi and a molecular weight of 231.46 g/mol. Its IUPAC name is 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine
PubChem CID164773914
Molecular FormulaC12H29NOSi
Molecular Weight231.46 g/mol
Exact Mass231.20
IUPAC Name3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine
SMILESCC(C)O[Si](CCCN)(C(C)C)C(C)C
InChIInChI=1S/C12H29NOSi/c1-10(2)14-15(11(3)4,12(5)6)9-7-8-13/h10-12H,7-9,13H2,1-6H3
InChIKeyZRVNLPPNGRCVNQ-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine?
The IUPAC name of 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine (CID 164773914) is 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine.
What is the SMILES notation for 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine?
The canonical SMILES for 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine is CC(C)O[Si](CCCN)(C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine?
The InChIKey is ZRVNLPPNGRCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NOSi/c1-10(2)14-15(11(3)4,12(5)6)9-7-8-13/h10-12H,7-9,13H2,1-6H3.
What are the key properties of 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine?
3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine has a molecular weight of 231.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)-propan-2-yloxysilyl]propan-1-amine is sourced from PubChem (CID 164773914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).